| Chain sequence(s) |
A: MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIAYNIGSSLNFKPYC
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 (00:04:50)
[INFO] Main: Simulation completed successfully. (00:04:52)
|
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 | 0.3914 | |
| 2 | I | A | -0.1332 | |
| 3 | E | A | -1.9614 | |
| 4 | I | A | -1.9898 | |
| 5 | K | A | -2.8641 | |
| 6 | D | A | -2.6737 | |
| 7 | K | A | -3.0797 | |
| 8 | Q | A | -1.7811 | |
| 9 | L | A | 0.0000 | |
| 10 | T | A | -1.5273 | |
| 11 | G | A | -1.1999 | |
| 12 | L | A | -0.9326 | |
| 13 | R | A | -1.6697 | |
| 14 | F | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | D | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | G | A | -0.1317 | |
| 21 | L | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | F | A | 0.0000 | |
| 25 | R | A | 0.0000 | |
| 26 | L | A | -0.0640 | |
| 27 | A | A | 0.0000 | |
| 28 | L | A | 0.0000 | |
| 29 | E | A | -2.0027 | |
| 30 | S | A | -1.4735 | |
| 31 | C | A | 0.0000 | |
| 32 | G | A | -1.9428 | |
| 33 | A | A | 0.0000 | |
| 34 | E | A | -2.2948 | |
| 35 | C | A | -0.9157 | |
| 36 | V | A | -0.3274 | |
| 37 | Y | A | -0.6057 | |
| 38 | S | A | 0.0000 | |
| 39 | N | A | 0.0000 | |
| 40 | E | A | -1.0198 | |
| 41 | W | A | -0.5173 | |
| 42 | D | A | -1.0991 | |
| 43 | K | A | -1.8733 | |
| 44 | Y | A | -0.9785 | |
| 45 | A | A | 0.0000 | |
| 46 | Q | A | -2.2189 | |
| 47 | E | A | -2.3661 | |
| 48 | V | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | E | A | -2.5574 | |
| 51 | M | A | -1.3739 | |
| 52 | N | A | -1.0516 | |
| 53 | F | A | -0.7679 | |
| 54 | G | A | -1.7034 | |
| 55 | E | A | -2.5274 | |
| 56 | K | A | -3.1581 | |
| 57 | P | A | 0.0000 | |
| 58 | E | A | -2.0984 | |
| 59 | G | A | -1.6152 | |
| 60 | D | A | -1.1236 | |
| 61 | I | A | 0.0000 | |
| 62 | T | A | -0.9215 | |
| 63 | Q | A | -1.6633 | |
| 64 | V | A | -1.6993 | |
| 65 | N | A | -2.2202 | |
| 66 | E | A | -2.5718 | |
| 67 | K | A | -2.8971 | |
| 68 | T | A | -1.5405 | |
| 69 | I | A | 0.0000 | |
| 70 | P | A | -1.2564 | |
| 71 | D | A | -2.2921 | |
| 72 | H | A | 0.0000 | |
| 73 | D | A | -1.1729 | |
| 74 | I | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | C | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | P | A | -0.4822 | |
| 81 | C | A | -0.4492 | |
| 82 | Q | A | -0.9283 | |
| 83 | A | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | S | A | -0.2277 | |
| 86 | I | A | 1.0244 | |
| 87 | S | A | -0.0313 | |
| 88 | G | A | -1.2950 | |
| 89 | K | A | -2.4303 | |
| 90 | Q | A | -2.4575 | |
| 91 | K | A | -3.0256 | |
| 92 | G | A | 0.0000 | |
| 93 | F | A | -0.9817 | |
| 94 | E | A | -2.2411 | |
| 95 | D | A | 0.0000 | |
| 96 | S | A | -1.2825 | |
| 97 | R | A | -1.7045 | |
| 98 | G | A | 0.0000 | |
| 99 | T | A | -0.3170 | |
| 100 | L | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | F | A | 1.0266 | |
| 103 | D | A | 0.0770 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | -0.6019 | |
| 106 | R | A | -1.5838 | |
| 107 | I | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | R | A | -3.3885 | |
| 110 | E | A | -3.5509 | |
| 111 | K | A | -3.0685 | |
| 112 | K | A | -2.8188 | |
| 113 | P | A | 0.0000 | |
| 114 | K | A | -1.2468 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | F | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | E | A | -0.3836 | |
| 120 | N | A | 0.0000 | |
| 121 | V | A | -0.4122 | |
| 122 | K | A | -1.3217 | |
| 123 | N | A | -0.6384 | |
| 124 | F | A | 0.0000 | |
| 125 | A | A | -1.3379 | |
| 126 | S | A | -1.7206 | |
| 127 | H | A | 0.0000 | |
| 128 | D | A | -3.1455 | |
| 129 | N | A | -2.8047 | |
| 130 | G | A | -2.3179 | |
| 131 | N | A | -2.7902 | |
| 132 | T | A | 0.0000 | |
| 133 | L | A | -1.5615 | |
| 134 | E | A | -2.3878 | |
| 135 | V | A | -0.9513 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -2.0532 | |
| 138 | N | A | -2.0520 | |
| 139 | T | A | -1.5023 | |
| 140 | M | A | 0.0000 | |
| 141 | N | A | -2.6051 | |
| 142 | E | A | -2.9048 | |
| 143 | L | A | -2.5962 | |
| 144 | D | A | -3.5299 | |
| 145 | Y | A | 0.0000 | |
| 146 | S | A | -1.3446 | |
| 147 | F | A | -0.5180 | |
| 148 | H | A | -0.6967 | |
| 149 | A | A | -0.6610 | |
| 150 | K | A | -1.2709 | |
| 151 | V | A | -0.5626 | |
| 152 | L | A | 0.0000 | |
| 153 | N | A | -0.7715 | |
| 154 | A | A | 0.0000 | |
| 155 | L | A | -0.9749 | |
| 156 | D | A | -1.1671 | |
| 157 | Y | A | 0.0000 | |
| 158 | G | A | -0.5264 | |
| 159 | I | A | -0.2277 | |
| 160 | P | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | K | A | -1.1407 | |
| 163 | R | A | 0.0000 | |
| 164 | E | A | -0.9423 | |
| 165 | R | A | -0.9941 | |
| 166 | I | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | R | A | -2.2376 | |
| 173 | N | A | -2.9527 | |
| 174 | D | A | -2.8681 | |
| 175 | L | A | -1.7327 | |
| 176 | N | A | -2.2116 | |
| 177 | I | A | -1.3795 | |
| 178 | Q | A | -1.9180 | |
| 179 | N | A | -1.8362 | |
| 180 | F | A | -1.2416 | |
| 181 | Q | A | -1.8056 | |
| 182 | F | A | -1.0384 | |
| 183 | P | A | -0.8603 | |
| 184 | K | A | -1.7180 | |
| 185 | P | A | -1.0360 | |
| 186 | F | A | -0.5812 | |
| 187 | E | A | -1.8238 | |
| 188 | L | A | 0.0000 | |
| 189 | N | A | -1.8022 | |
| 190 | T | A | -1.5025 | |
| 191 | F | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | K | A | -2.1478 | |
| 194 | D | A | -2.3492 | |
| 195 | L | A | -0.9319 | |
| 196 | L | A | -0.7142 | |
| 197 | L | A | -1.0282 | |
| 198 | P | A | -1.7088 | |
| 199 | D | A | -3.1568 | |
| 200 | S | A | -2.6094 | |
| 201 | E | A | -3.1819 | |
| 202 | V | A | 0.0000 | |
| 203 | E | A | -3.2241 | |
| 204 | H | A | -2.2135 | |
| 205 | L | A | -1.0042 | |
| 206 | V | A | -1.1697 | |
| 207 | I | A | -1.1910 | |
| 208 | D | A | -2.4434 | |
| 209 | R | A | -2.1511 | |
| 210 | K | A | -2.3375 | |
| 211 | D | A | -1.2144 | |
| 212 | L | A | 0.2128 | |
| 213 | V | A | 1.4708 | |
| 214 | M | A | 0.5570 | |
| 215 | T | A | -0.3719 | |
| 216 | N | A | -2.0003 | |
| 217 | Q | A | -2.4296 | |
| 218 | E | A | -2.2342 | |
| 219 | I | A | -1.7389 | |
| 220 | E | A | -2.6118 | |
| 221 | Q | A | -2.1999 | |
| 222 | T | A | -1.7103 | |
| 223 | T | A | -1.3146 | |
| 224 | P | A | -1.5946 | |
| 225 | K | A | -2.0245 | |
| 226 | T | A | -1.2860 | |
| 227 | V | A | -1.3824 | |
| 228 | R | A | -2.0611 | |
| 229 | L | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | I | A | 0.2380 | |
| 232 | V | A | 0.0000 | |
| 233 | G | A | -1.3854 | |
| 234 | K | A | -2.1953 | |
| 235 | G | A | -1.3670 | |
| 236 | G | A | -1.5355 | |
| 237 | Q | A | -1.8390 | |
| 238 | G | A | 0.0000 | |
| 239 | E | A | -1.1137 | |
| 240 | R | A | -1.3339 | |
| 241 | I | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | R | A | -1.9729 | |
| 246 | G | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | I | A | -0.1548 | |
| 250 | T | A | -0.1941 | |
| 251 | L | A | 0.0000 | |
| 252 | S | A | -0.1508 | |
| 253 | A | A | -0.0588 | |
| 254 | Y | A | 0.8426 | |
| 255 | G | A | -0.1485 | |
| 256 | G | A | -0.5435 | |
| 257 | G | A | -0.8685 | |
| 258 | I | A | -0.0592 | |
| 259 | F | A | 0.0000 | |
| 260 | A | A | -0.3700 | |
| 261 | K | A | -0.4826 | |
| 262 | T | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | L | A | -0.5784 | |
| 267 | V | A | 0.0000 | |
| 268 | N | A | -1.9058 | |
| 269 | G | A | -1.3842 | |
| 270 | K | A | -1.6331 | |
| 271 | T | A | 0.0000 | |
| 272 | R | A | 0.0000 | |
| 273 | K | A | -0.2343 | |
| 274 | L | A | 0.0000 | |
| 275 | H | A | -0.6134 | |
| 276 | P | A | 0.0000 | |
| 277 | R | A | -0.7672 | |
| 278 | E | A | 0.0000 | |
| 279 | C | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | R | A | -0.5771 | |
| 282 | V | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | P | A | -1.0792 | |
| 287 | D | A | -2.2571 | |
| 288 | S | A | -1.5107 | |
| 289 | Y | A | 0.0000 | |
| 290 | K | A | -1.7617 | |
| 291 | V | A | -0.6987 | |
| 292 | H | A | -0.5326 | |
| 293 | P | A | -0.4615 | |
| 294 | S | A | -0.2689 | |
| 295 | T | A | -0.3753 | |
| 296 | S | A | -0.5173 | |
| 297 | Q | A | -0.4461 | |
| 298 | A | A | 0.0000 | |
| 299 | Y | A | -0.3713 | |
| 300 | K | A | -0.6023 | |
| 301 | Q | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | N | A | -0.7695 | |
| 305 | S | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | N | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | Y | A | 0.3413 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | Y | A | -0.0431 | |
| 317 | N | A | -0.4641 | |
| 318 | I | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | S | A | -0.3033 | |
| 321 | S | A | 0.0000 | |
| 322 | L | A | -0.3945 | |
| 323 | N | A | -0.7389 | |
| 324 | F | A | 0.5563 | |
| 325 | K | A | -0.7879 | |
| 326 | P | A | -0.0925 | |
| 327 | Y | A | 1.0063 | |
| 328 | C | A | -0.1774 |
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