| Chain sequence(s) |
A: MAFYQQQPFYNPRVPFSGPIQGGLQDGKSIILSGRVLPGANRFHVNLQCGSHSDADVALHFNPRWESTGYVVNNTYQNRNWGSEERKYESPFPQGQTFTLQILVAHDKYKISTNGRHFADYKHRIPFTRVDTISVEGMVELNSVAFQNPAPYLPPQPAFPGYVQPQVGFQPQYAAPPGSAFPAYPSAPAYTVPYKSVINGGLHAGKNIVIHGVVNHNAQRIAFNLRYRSGIAFHYNPRFDENVVVRNTNQMERWGSEERSGGMPFQRGQPFQVTISCNPHHYNVFVNGKQVHTYKHRYTNLSDIDILEVSGDLQLTLVQA
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 (00:03:05)
[INFO] Main: Simulation completed successfully. (00:03:07)
|
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 | 1.7784 | |
| 2 | A | A | 1.7530 | |
| 3 | F | A | 2.4061 | |
| 4 | Y | A | 1.3933 | |
| 5 | Q | A | -0.8495 | |
| 6 | Q | A | -1.2698 | |
| 7 | Q | A | -1.4883 | |
| 8 | P | A | 0.0000 | |
| 9 | F | A | 0.0799 | |
| 10 | Y | A | -0.3654 | |
| 11 | N | A | -0.9200 | |
| 12 | P | A | -1.0846 | |
| 13 | R | A | -2.1186 | |
| 14 | V | A | -1.1918 | |
| 15 | P | A | -0.9520 | |
| 16 | F | A | -0.6609 | |
| 17 | S | A | -0.6938 | |
| 18 | G | A | 0.0000 | |
| 19 | P | A | -1.0396 | |
| 20 | I | A | 0.0000 | |
| 21 | Q | A | -1.9919 | |
| 22 | G | A | -1.5548 | |
| 23 | G | A | -1.6990 | |
| 24 | L | A | 0.0000 | |
| 25 | Q | A | -2.0355 | |
| 26 | D | A | -2.3963 | |
| 27 | G | A | -1.4343 | |
| 28 | K | A | 0.0000 | |
| 29 | S | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | S | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | R | A | -1.3403 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | -0.9481 | |
| 38 | P | A | -0.9344 | |
| 39 | G | A | -0.9149 | |
| 40 | A | A | 0.0000 | |
| 41 | N | A | -2.2792 | |
| 42 | R | A | -2.1398 | |
| 43 | F | A | 0.0000 | |
| 44 | H | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | N | A | -0.3039 | |
| 47 | L | A | 0.0000 | |
| 48 | Q | A | -1.1083 | |
| 49 | C | A | -1.4097 | |
| 50 | G | A | -1.3422 | |
| 51 | S | A | -1.2611 | |
| 52 | H | A | -1.5987 | |
| 53 | S | A | -1.3620 | |
| 54 | D | A | -2.4735 | |
| 55 | A | A | -1.7308 | |
| 56 | D | A | -1.8923 | |
| 57 | V | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | H | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | N | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | R | A | -1.3169 | |
| 65 | W | A | -1.6488 | |
| 66 | E | A | -2.2830 | |
| 67 | S | A | -1.0725 | |
| 68 | T | A | -0.7598 | |
| 69 | G | A | -1.2038 | |
| 70 | Y | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | N | A | 0.0000 | |
| 74 | N | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | Y | A | -1.2636 | |
| 77 | Q | A | -2.1461 | |
| 78 | N | A | -2.8828 | |
| 79 | R | A | -3.3521 | |
| 80 | N | A | -2.4274 | |
| 81 | W | A | -0.5894 | |
| 82 | G | A | -1.0712 | |
| 83 | S | A | -1.2085 | |
| 84 | E | A | -2.1414 | |
| 85 | E | A | -3.1848 | |
| 86 | R | A | -3.0619 | |
| 87 | K | A | -1.8419 | |
| 88 | Y | A | -0.3762 | |
| 89 | E | A | -1.6563 | |
| 90 | S | A | -0.8167 | |
| 91 | P | A | -1.0615 | |
| 92 | F | A | 0.0000 | |
| 93 | P | A | -0.8313 | |
| 94 | Q | A | -1.3588 | |
| 95 | G | A | -1.2339 | |
| 96 | Q | A | -1.4982 | |
| 97 | T | A | -1.1429 | |
| 98 | F | A | 0.0000 | |
| 99 | T | A | -0.8874 | |
| 100 | L | A | 0.0000 | |
| 101 | Q | A | -0.9441 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | -0.6094 | |
| 104 | V | A | 0.0000 | |
| 105 | A | A | -2.1610 | |
| 106 | H | A | -2.7251 | |
| 107 | D | A | -3.3890 | |
| 108 | K | A | -2.9941 | |
| 109 | Y | A | 0.0000 | |
| 110 | K | A | -1.7986 | |
| 111 | I | A | 0.0000 | |
| 112 | S | A | -1.7636 | |
| 113 | T | A | 0.0000 | |
| 114 | N | A | -1.7204 | |
| 115 | G | A | -1.9981 | |
| 116 | R | A | -2.8221 | |
| 117 | H | A | -2.4544 | |
| 118 | F | A | 0.0000 | |
| 119 | A | A | -1.3442 | |
| 120 | D | A | -2.3786 | |
| 121 | Y | A | 0.0000 | |
| 122 | K | A | -3.1008 | |
| 123 | H | A | -2.2124 | |
| 124 | R | A | -1.4780 | |
| 125 | I | A | 0.0000 | |
| 126 | P | A | -1.2369 | |
| 127 | F | A | -1.5856 | |
| 128 | T | A | -1.5489 | |
| 129 | R | A | -2.2791 | |
| 130 | V | A | 0.0000 | |
| 131 | D | A | -1.9514 | |
| 132 | T | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | E | A | -1.2506 | |
| 137 | G | A | -0.9684 | |
| 138 | M | A | -0.8476 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -1.6206 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | Q | A | -1.2970 | |
| 148 | N | A | -1.2835 | |
| 149 | P | A | -0.7243 | |
| 150 | A | A | 0.4061 | |
| 151 | P | A | 1.0065 | |
| 152 | Y | A | 1.8845 | |
| 153 | L | A | 1.7810 | |
| 154 | P | A | 0.4296 | |
| 155 | P | A | -0.3918 | |
| 156 | Q | A | -0.8865 | |
| 157 | P | A | -0.3743 | |
| 158 | A | A | 0.4141 | |
| 159 | F | A | 1.7347 | |
| 160 | P | A | 1.1015 | |
| 161 | G | A | 1.3810 | |
| 162 | Y | A | 1.9641 | |
| 163 | V | A | 1.4795 | |
| 164 | Q | A | -0.2008 | |
| 165 | P | A | -0.1496 | |
| 166 | Q | A | -0.2212 | |
| 167 | V | A | 1.0686 | |
| 168 | G | A | 0.6919 | |
| 169 | F | A | 1.1073 | |
| 170 | Q | A | -0.3607 | |
| 171 | P | A | -0.4009 | |
| 172 | Q | A | -0.6464 | |
| 173 | Y | A | 0.5454 | |
| 174 | A | A | 0.2302 | |
| 175 | A | A | 0.0317 | |
| 176 | P | A | -0.3259 | |
| 177 | P | A | -0.6266 | |
| 178 | G | A | -0.5170 | |
| 179 | S | A | 0.0009 | |
| 180 | A | A | 0.6892 | |
| 181 | F | A | 1.9581 | |
| 182 | P | A | 1.0243 | |
| 183 | A | A | 1.0068 | |
| 184 | Y | A | 1.4122 | |
| 185 | P | A | 0.2322 | |
| 186 | S | A | -0.0047 | |
| 187 | A | A | 0.1068 | |
| 188 | P | A | -0.1212 | |
| 189 | A | A | 0.0213 | |
| 190 | Y | A | -0.0012 | |
| 191 | T | A | -0.1610 | |
| 192 | V | A | -0.2755 | |
| 193 | P | A | -0.6547 | |
| 194 | Y | A | -0.8933 | |
| 195 | K | A | -1.4104 | |
| 196 | S | A | -0.3464 | |
| 197 | V | A | 0.8916 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.0620 | |
| 200 | G | A | -1.2435 | |
| 201 | G | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | H | A | -1.6505 | |
| 204 | A | A | -1.1249 | |
| 205 | G | A | -1.2278 | |
| 206 | K | A | -1.1094 | |
| 207 | N | A | -0.8897 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | -0.2867 | |
| 210 | I | A | 0.0000 | |
| 211 | H | A | -0.5171 | |
| 212 | G | A | 0.0000 | |
| 213 | V | A | -1.1563 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -2.9238 | |
| 216 | H | A | -2.8941 | |
| 217 | N | A | -2.7338 | |
| 218 | A | A | 0.0000 | |
| 219 | Q | A | -3.3824 | |
| 220 | R | A | -2.5814 | |
| 221 | I | A | 0.0000 | |
| 222 | A | A | -0.5731 | |
| 223 | F | A | 0.0000 | |
| 224 | N | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | R | A | -0.8364 | |
| 227 | Y | A | 0.0000 | |
| 228 | R | A | -2.2139 | |
| 229 | S | A | -1.3543 | |
| 230 | G | A | 0.0000 | |
| 231 | I | A | -0.6245 | |
| 232 | A | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | H | A | -0.2357 | |
| 235 | Y | A | 0.0000 | |
| 236 | N | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | R | A | -2.0123 | |
| 239 | F | A | 0.0000 | |
| 240 | D | A | -3.1413 | |
| 241 | E | A | -2.5804 | |
| 242 | N | A | -2.4902 | |
| 243 | V | A | -1.4380 | |
| 244 | V | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | Q | A | -1.0061 | |
| 251 | M | A | -0.5436 | |
| 252 | E | A | -2.2414 | |
| 253 | R | A | -2.3399 | |
| 254 | W | A | -1.1124 | |
| 255 | G | A | -1.3730 | |
| 256 | S | A | -1.3025 | |
| 257 | E | A | -1.9595 | |
| 258 | E | A | -2.1627 | |
| 259 | R | A | -2.0222 | |
| 260 | S | A | -1.2697 | |
| 261 | G | A | -0.8569 | |
| 262 | G | A | -0.8585 | |
| 263 | M | A | -0.7732 | |
| 264 | P | A | -0.6744 | |
| 265 | F | A | 0.0000 | |
| 266 | Q | A | -2.3277 | |
| 267 | R | A | -2.9685 | |
| 268 | G | A | -2.2499 | |
| 269 | Q | A | -1.9955 | |
| 270 | P | A | -1.3466 | |
| 271 | F | A | 0.0000 | |
| 272 | Q | A | -0.6943 | |
| 273 | V | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | N | A | -1.2662 | |
| 279 | P | A | -1.2638 | |
| 280 | H | A | -1.7754 | |
| 281 | H | A | -1.6742 | |
| 282 | Y | A | 0.0000 | |
| 283 | N | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | N | A | -1.5726 | |
| 288 | G | A | -1.1878 | |
| 289 | K | A | -1.1817 | |
| 290 | Q | A | -0.5482 | |
| 291 | V | A | -0.1790 | |
| 292 | H | A | 0.0000 | |
| 293 | T | A | -0.5131 | |
| 294 | Y | A | 0.0000 | |
| 295 | K | A | -2.2699 | |
| 296 | H | A | 0.0000 | |
| 297 | R | A | -1.3704 | |
| 298 | Y | A | -0.9157 | |
| 299 | T | A | -1.2590 | |
| 300 | N | A | -1.7020 | |
| 301 | L | A | -1.3347 | |
| 302 | S | A | -1.5416 | |
| 303 | D | A | -2.0562 | |
| 304 | I | A | 0.0000 | |
| 305 | D | A | -0.7140 | |
| 306 | I | A | -0.4106 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -0.9435 | |
| 309 | V | A | 0.0000 | |
| 310 | S | A | -0.8935 | |
| 311 | G | A | -1.3029 | |
| 312 | D | A | -2.2186 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | -1.2404 | |
| 315 | L | A | 0.0000 | |
| 316 | T | A | -0.0553 | |
| 317 | L | A | 0.0987 | |
| 318 | V | A | 0.0000 | |
| 319 | Q | A | -1.0445 | |
| 320 | A | A | -0.5249 |
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