| Chain sequence(s) |
A: FFPFDLFPMCPFGCQCYSRVVHCSDLGLTSVPTNIPFDTRMLDLQNNKIKEIKENDFKGLTSLYGLILNNNKLTKIHPKAFLTTKKLRRLYLSHNQLSEIPLNLPKSLAELRIHENKVKKIQKDTFKGMNALHVLEMSANPLDNNGIEPGAFEGVTVFHIRIAEAKLTSVPKGLPPTLLELHLDYNKISTVELEDFKRYKELQRLGLGNNKITDIENGSLANIPRVREIHLENNKLKKIPSGLPELKYLQIIFLHSNSIARVGVNDFCPTVPKMKKSLYSAISLFNNPVKYWEMQPATFRCVLSRMSVQLGNFGM
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 (00:06:56)
[INFO] Main: Simulation completed successfully. (00:06:58)
|
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 | F | A | 3.1218 | |
| 2 | F | A | 3.2611 | |
| 3 | P | A | 1.9789 | |
| 4 | F | A | 2.5647 | |
| 5 | D | A | 0.7452 | |
| 6 | L | A | 2.4824 | |
| 7 | F | A | 3.0621 | |
| 8 | P | A | 1.3470 | |
| 9 | M | A | 1.6510 | |
| 10 | C | A | 0.9217 | |
| 11 | P | A | 0.0000 | |
| 12 | F | A | 1.6481 | |
| 13 | G | A | 0.1378 | |
| 14 | C | A | 0.0000 | |
| 15 | Q | A | -0.7660 | |
| 16 | C | A | -0.0703 | |
| 17 | Y | A | 0.5372 | |
| 18 | S | A | -0.6655 | |
| 19 | R | A | -2.0539 | |
| 20 | V | A | -0.9922 | |
| 21 | V | A | 0.0000 | |
| 22 | H | A | -1.2243 | |
| 23 | C | A | 0.0000 | |
| 24 | S | A | -1.5117 | |
| 25 | D | A | -2.1566 | |
| 26 | L | A | -0.4309 | |
| 27 | G | A | -0.7983 | |
| 28 | L | A | -0.7702 | |
| 29 | T | A | -1.2514 | |
| 30 | S | A | -1.0537 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | T | A | -1.0737 | |
| 34 | N | A | -0.4793 | |
| 35 | I | A | 0.0000 | |
| 36 | P | A | 0.1875 | |
| 37 | F | A | 0.3546 | |
| 38 | D | A | -1.7442 | |
| 39 | T | A | 0.0000 | |
| 40 | R | A | -2.2995 | |
| 41 | M | A | -1.1673 | |
| 42 | L | A | 0.0000 | |
| 43 | D | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | Q | A | -1.5727 | |
| 46 | N | A | -2.1891 | |
| 47 | N | A | 0.0000 | |
| 48 | K | A | -2.9161 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -3.7924 | |
| 51 | E | A | -3.4764 | |
| 52 | I | A | 0.0000 | |
| 53 | K | A | -3.1937 | |
| 54 | E | A | -3.3812 | |
| 55 | N | A | -3.1536 | |
| 56 | D | A | -2.3697 | |
| 57 | F | A | 0.0000 | |
| 58 | K | A | -2.3998 | |
| 59 | G | A | -0.8217 | |
| 60 | L | A | 0.0000 | |
| 61 | T | A | -1.2591 | |
| 62 | S | A | -1.6477 | |
| 63 | L | A | 0.0000 | |
| 64 | Y | A | -1.5420 | |
| 65 | G | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | -0.3520 | |
| 68 | L | A | 0.0000 | |
| 69 | N | A | -1.5876 | |
| 70 | N | A | -2.7142 | |
| 71 | N | A | 0.0000 | |
| 72 | K | A | -3.7577 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -2.6945 | |
| 75 | K | A | -3.1129 | |
| 76 | I | A | 0.0000 | |
| 77 | H | A | -2.1379 | |
| 78 | P | A | -1.1802 | |
| 79 | K | A | -2.3103 | |
| 80 | A | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | L | A | -0.7909 | |
| 83 | T | A | -1.2216 | |
| 84 | T | A | 0.0000 | |
| 85 | K | A | -2.7305 | |
| 86 | K | A | -3.2242 | |
| 87 | L | A | 0.0000 | |
| 88 | R | A | -2.1475 | |
| 89 | R | A | -1.3909 | |
| 90 | L | A | 0.0000 | |
| 91 | Y | A | -0.5998 | |
| 92 | L | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | H | A | -2.3338 | |
| 95 | N | A | 0.0000 | |
| 96 | Q | A | -2.7889 | |
| 97 | L | A | 0.0000 | |
| 98 | S | A | -2.6234 | |
| 99 | E | A | -3.0726 | |
| 100 | I | A | 0.0000 | |
| 101 | P | A | 0.0000 | |
| 102 | L | A | 0.2492 | |
| 103 | N | A | -1.1316 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | 0.0000 | |
| 106 | K | A | -3.0943 | |
| 107 | S | A | -2.3195 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | -1.0515 | |
| 110 | E | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | R | A | -1.2186 | |
| 113 | I | A | 0.0000 | |
| 114 | H | A | -1.6196 | |
| 115 | E | A | -2.4724 | |
| 116 | N | A | 0.0000 | |
| 117 | K | A | -2.8568 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -3.6447 | |
| 120 | K | A | -3.5394 | |
| 121 | I | A | 0.0000 | |
| 122 | Q | A | -3.1621 | |
| 123 | K | A | -3.6096 | |
| 124 | D | A | -3.3200 | |
| 125 | T | A | -2.4168 | |
| 126 | F | A | 0.0000 | |
| 127 | K | A | -3.6659 | |
| 128 | G | A | -2.5004 | |
| 129 | M | A | 0.0000 | |
| 130 | N | A | -2.1775 | |
| 131 | A | A | -1.2681 | |
| 132 | L | A | 0.0000 | |
| 133 | H | A | -0.1882 | |
| 134 | V | A | -0.0577 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | 0.0000 | |
| 137 | M | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | A | A | -1.5906 | |
| 140 | N | A | 0.0000 | |
| 141 | P | A | -2.1269 | |
| 142 | L | A | 0.0000 | |
| 143 | D | A | -2.3485 | |
| 144 | N | A | -2.0389 | |
| 145 | N | A | -2.1981 | |
| 146 | G | A | 0.0000 | |
| 147 | I | A | -2.0043 | |
| 148 | E | A | -2.0509 | |
| 149 | P | A | -1.8817 | |
| 150 | G | A | -2.4184 | |
| 151 | A | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | E | A | -3.1375 | |
| 154 | G | A | -2.2348 | |
| 155 | V | A | 0.0000 | |
| 156 | T | A | -0.7489 | |
| 157 | V | A | 0.0000 | |
| 158 | F | A | 0.5800 | |
| 159 | H | A | 0.0286 | |
| 160 | I | A | 0.0000 | |
| 161 | R | A | -1.0746 | |
| 162 | I | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | E | A | -1.9772 | |
| 165 | A | A | 0.0000 | |
| 166 | K | A | -2.4772 | |
| 167 | L | A | 0.0000 | |
| 168 | T | A | -1.4127 | |
| 169 | S | A | -1.1219 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | K | A | -2.5062 | |
| 173 | G | A | -1.7697 | |
| 174 | L | A | 0.0000 | |
| 175 | P | A | 0.0000 | |
| 176 | P | A | -1.5824 | |
| 177 | T | A | -0.5556 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | -0.4372 | |
| 180 | E | A | -0.5149 | |
| 181 | L | A | 0.0000 | |
| 182 | H | A | -0.6638 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.5619 | |
| 185 | Y | A | -0.3292 | |
| 186 | N | A | 0.0000 | |
| 187 | K | A | -2.0792 | |
| 188 | I | A | 0.0000 | |
| 189 | S | A | -1.4676 | |
| 190 | T | A | -1.3653 | |
| 191 | V | A | 0.0000 | |
| 192 | E | A | -2.5408 | |
| 193 | L | A | -1.6671 | |
| 194 | E | A | -2.9306 | |
| 195 | D | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | K | A | -3.1437 | |
| 198 | R | A | -3.0523 | |
| 199 | Y | A | 0.0000 | |
| 200 | K | A | -3.0394 | |
| 201 | E | A | -2.2871 | |
| 202 | L | A | 0.0000 | |
| 203 | Q | A | -1.5133 | |
| 204 | R | A | -1.2671 | |
| 205 | L | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | N | A | -1.2587 | |
| 210 | N | A | 0.0000 | |
| 211 | K | A | -2.1831 | |
| 212 | I | A | 0.0000 | |
| 213 | T | A | -1.8348 | |
| 214 | D | A | -2.2878 | |
| 215 | I | A | 0.0000 | |
| 216 | E | A | -2.3510 | |
| 217 | N | A | -2.0198 | |
| 218 | G | A | -1.2982 | |
| 219 | S | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | A | A | -1.0341 | |
| 222 | N | A | -1.6780 | |
| 223 | I | A | 0.0000 | |
| 224 | P | A | -1.4984 | |
| 225 | R | A | -1.7805 | |
| 226 | V | A | 0.0000 | |
| 227 | R | A | -1.2158 | |
| 228 | E | A | -0.8387 | |
| 229 | I | A | 0.0000 | |
| 230 | H | A | -0.3636 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | -1.1469 | |
| 233 | N | A | -1.8612 | |
| 234 | N | A | 0.0000 | |
| 235 | K | A | -2.9131 | |
| 236 | L | A | 0.0000 | |
| 237 | K | A | -2.9334 | |
| 238 | K | A | -2.8987 | |
| 239 | I | A | 0.0000 | |
| 240 | P | A | 0.0000 | |
| 241 | S | A | -1.3028 | |
| 242 | G | A | -1.2405 | |
| 243 | L | A | 0.0000 | |
| 244 | P | A | -1.0247 | |
| 245 | E | A | -1.9551 | |
| 246 | L | A | 0.0000 | |
| 247 | K | A | -1.3289 | |
| 248 | Y | A | -0.3703 | |
| 249 | L | A | 0.0000 | |
| 250 | Q | A | 0.0871 | |
| 251 | I | A | 0.0757 | |
| 252 | I | A | 0.0000 | |
| 253 | F | A | 0.0915 | |
| 254 | L | A | 0.0000 | |
| 255 | H | A | -0.8167 | |
| 256 | S | A | -1.3352 | |
| 257 | N | A | -2.0113 | |
| 258 | S | A | -2.1012 | |
| 259 | I | A | 0.0000 | |
| 260 | A | A | -1.9461 | |
| 261 | R | A | -2.6319 | |
| 262 | V | A | 0.0000 | |
| 263 | G | A | -1.1456 | |
| 264 | V | A | -0.4922 | |
| 265 | N | A | -0.9009 | |
| 266 | D | A | -0.8330 | |
| 267 | F | A | 0.0000 | |
| 268 | C | A | 0.0000 | |
| 269 | P | A | -0.7814 | |
| 270 | T | A | 0.2028 | |
| 271 | V | A | 0.8723 | |
| 272 | P | A | -0.3846 | |
| 273 | K | A | -1.7757 | |
| 274 | M | A | -1.3810 | |
| 275 | K | A | -2.1190 | |
| 276 | K | A | -1.3356 | |
| 277 | S | A | 0.2026 | |
| 278 | L | A | 1.1845 | |
| 279 | Y | A | 0.0000 | |
| 280 | S | A | 0.5970 | |
| 281 | A | A | 0.2824 | |
| 282 | I | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | F | A | -0.6256 | |
| 286 | N | A | -1.6216 | |
| 287 | N | A | -1.4040 | |
| 288 | P | A | -1.1029 | |
| 289 | V | A | 0.0000 | |
| 290 | K | A | -1.0001 | |
| 291 | Y | A | 0.5032 | |
| 292 | W | A | 0.5310 | |
| 293 | E | A | -1.3882 | |
| 294 | M | A | 0.0000 | |
| 295 | Q | A | -1.2277 | |
| 296 | P | A | -0.7371 | |
| 297 | A | A | -0.7763 | |
| 298 | T | A | 0.0000 | |
| 299 | F | A | -0.4977 | |
| 300 | R | A | -1.0270 | |
| 301 | C | A | 0.2584 | |
| 302 | V | A | 0.7979 | |
| 303 | L | A | 1.5590 | |
| 304 | S | A | 0.2377 | |
| 305 | R | A | -1.2023 | |
| 306 | M | A | 0.2793 | |
| 307 | S | A | 0.0000 | |
| 308 | V | A | -0.0872 | |
| 309 | Q | A | -0.8950 | |
| 310 | L | A | -0.1145 | |
| 311 | G | A | -0.6791 | |
| 312 | N | A | -0.2795 | |
| 313 | F | A | 1.4945 | |
| 314 | G | A | 0.6261 | |
| 315 | M | A | 1.2185 |
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