| Chain sequence(s) |
A: MAFYQQQPFYNPRVPFSGPIQGGLQDGKSIILSGRVLPGANRFHVNLQCGSHSDADVALHFNPRWESTGYVVNNTYQNRNWGSEERKYESPFPQGQTFTLQILVAHDKYKISTNGRHFADYKHRIPFTRVDTISVEGMVELNSVAFQNPAPYLPPQPAFPGYVQPQVGFQPQYAAPPGSAFPAYPSAPAYTVPYKSVINGGLHAGANIVIAGVVNANAQAIAFNLRYRSGIAFHYNPRFDENVVVRNTNQMERWGSEERSGGMPFQRGQPFQVTISCNPHHYNVFVNGKQVHTYKHRYTNLSDIDILEVSGDLQLTLVQA
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 (00:02:49)
[INFO] Main: Simulation completed successfully. (00:02:51)
|
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 | 2.4243 | |
| 4 | Y | A | 1.4097 | |
| 5 | Q | A | -0.8150 | |
| 6 | Q | A | -1.2477 | |
| 7 | Q | A | -1.4858 | |
| 8 | P | A | 0.0000 | |
| 9 | F | A | 0.0787 | |
| 10 | Y | A | -0.3212 | |
| 11 | N | A | -0.8990 | |
| 12 | P | A | -1.1126 | |
| 13 | R | A | -2.1495 | |
| 14 | V | A | -1.2315 | |
| 15 | P | A | -0.9909 | |
| 16 | F | A | -0.6755 | |
| 17 | S | A | -0.7088 | |
| 18 | G | A | 0.0000 | |
| 19 | P | A | -1.0372 | |
| 20 | I | A | 0.0000 | |
| 21 | Q | A | -1.9812 | |
| 22 | G | A | -1.5458 | |
| 23 | G | A | -1.7055 | |
| 24 | L | A | 0.0000 | |
| 25 | Q | A | -1.9042 | |
| 26 | D | A | -2.1293 | |
| 27 | G | A | -1.2814 | |
| 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 | -1.4526 | |
| 36 | V | A | 0.0000 | |
| 37 | L | A | -1.0053 | |
| 38 | P | A | -0.9103 | |
| 39 | G | A | -0.9254 | |
| 40 | A | A | 0.0000 | |
| 41 | N | A | -2.3140 | |
| 42 | R | A | -2.1669 | |
| 43 | F | A | 0.0000 | |
| 44 | H | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | N | A | -0.3381 | |
| 47 | L | A | 0.0000 | |
| 48 | Q | A | -1.1430 | |
| 49 | C | A | -1.4434 | |
| 50 | G | A | -1.3234 | |
| 51 | S | A | -1.2443 | |
| 52 | H | A | -1.5636 | |
| 53 | S | A | -1.2871 | |
| 54 | D | A | -2.3180 | |
| 55 | A | A | 0.0000 | |
| 56 | D | A | -2.0525 | |
| 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 | -1.3291 | |
| 65 | W | A | -1.7417 | |
| 66 | E | A | -2.3291 | |
| 67 | S | A | -1.0867 | |
| 68 | T | A | -0.7568 | |
| 69 | G | A | -1.1693 | |
| 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 | -1.3251 | |
| 77 | Q | A | -2.2085 | |
| 78 | N | A | -2.9083 | |
| 79 | R | A | -3.3533 | |
| 80 | N | A | -2.4520 | |
| 81 | W | A | -0.6511 | |
| 82 | G | A | -1.0102 | |
| 83 | S | A | -1.0453 | |
| 84 | E | A | -1.7852 | |
| 85 | E | A | -2.4590 | |
| 86 | R | A | -2.7033 | |
| 87 | K | A | -1.6578 | |
| 88 | Y | A | -0.3487 | |
| 89 | E | A | -1.6341 | |
| 90 | S | A | -0.8011 | |
| 91 | P | A | -1.0274 | |
| 92 | F | A | 0.0000 | |
| 93 | P | A | -0.7672 | |
| 94 | Q | A | -1.2631 | |
| 95 | G | A | -1.1888 | |
| 96 | Q | A | -1.4146 | |
| 97 | T | A | -1.1517 | |
| 98 | F | A | 0.0000 | |
| 99 | T | A | -0.9672 | |
| 100 | L | A | 0.0000 | |
| 101 | Q | A | -0.9665 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | -0.5267 | |
| 104 | V | A | 0.0000 | |
| 105 | A | A | -2.0481 | |
| 106 | H | A | -2.6570 | |
| 107 | D | A | -3.3382 | |
| 108 | K | A | -2.9155 | |
| 109 | Y | A | 0.0000 | |
| 110 | K | A | -1.6923 | |
| 111 | I | A | 0.0000 | |
| 112 | S | A | -1.7337 | |
| 113 | T | A | 0.0000 | |
| 114 | N | A | -1.7155 | |
| 115 | G | A | -1.9981 | |
| 116 | R | A | -2.8239 | |
| 117 | H | A | -2.4143 | |
| 118 | F | A | 0.0000 | |
| 119 | A | A | -1.1877 | |
| 120 | D | A | -2.0645 | |
| 121 | Y | A | 0.0000 | |
| 122 | K | A | -3.0392 | |
| 123 | H | A | -2.1935 | |
| 124 | R | A | -1.5001 | |
| 125 | I | A | 0.0000 | |
| 126 | P | A | -1.2473 | |
| 127 | F | A | -1.5654 | |
| 128 | T | A | -1.5232 | |
| 129 | R | A | -2.3038 | |
| 130 | V | A | 0.0000 | |
| 131 | D | A | -1.9476 | |
| 132 | T | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | E | A | -1.3456 | |
| 137 | G | A | -1.0432 | |
| 138 | M | A | -0.9158 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -1.8523 | |
| 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 | -1.2076 | |
| 148 | N | A | -1.1180 | |
| 149 | P | A | -0.6064 | |
| 150 | A | A | 0.4392 | |
| 151 | P | A | 1.0229 | |
| 152 | Y | A | 1.8841 | |
| 153 | L | A | 1.7799 | |
| 154 | P | A | 0.4286 | |
| 155 | P | A | -0.3924 | |
| 156 | Q | A | -0.8871 | |
| 157 | P | A | -0.3744 | |
| 158 | A | A | 0.4145 | |
| 159 | F | A | 1.7348 | |
| 160 | P | A | 1.1026 | |
| 161 | G | A | 1.3817 | |
| 162 | Y | A | 1.9648 | |
| 163 | V | A | 1.4798 | |
| 164 | Q | A | -0.2011 | |
| 165 | P | A | -0.1506 | |
| 166 | Q | A | -0.2215 | |
| 167 | V | A | 1.0685 | |
| 168 | G | A | 0.6895 | |
| 169 | F | A | 1.1009 | |
| 170 | Q | A | -0.3706 | |
| 171 | P | A | -0.4235 | |
| 172 | Q | A | -0.6570 | |
| 173 | Y | A | 0.5388 | |
| 174 | A | A | 0.2278 | |
| 175 | A | A | 0.0322 | |
| 176 | P | A | -0.3258 | |
| 177 | P | A | -0.6268 | |
| 178 | G | A | -0.5169 | |
| 179 | S | A | 0.0012 | |
| 180 | A | A | 0.6896 | |
| 181 | F | A | 1.9579 | |
| 182 | P | A | 1.0251 | |
| 183 | A | A | 1.0067 | |
| 184 | Y | A | 1.4120 | |
| 185 | P | A | 0.2328 | |
| 186 | S | A | -0.0046 | |
| 187 | A | A | 0.1178 | |
| 188 | P | A | -0.1053 | |
| 189 | A | A | 0.0331 | |
| 190 | Y | A | 0.0202 | |
| 191 | T | A | -0.1530 | |
| 192 | V | A | -0.2520 | |
| 193 | P | A | -0.6125 | |
| 194 | Y | A | -0.8219 | |
| 195 | K | A | -1.3153 | |
| 196 | S | A | -0.2772 | |
| 197 | V | A | 0.9164 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.0664 | |
| 200 | G | A | -1.2762 | |
| 201 | G | A | -1.1924 | |
| 202 | L | A | 0.0000 | |
| 203 | H | A | -1.5327 | |
| 204 | A | A | -0.9938 | |
| 205 | G | A | -1.0237 | |
| 206 | A | A | -0.6615 | |
| 207 | N | A | -0.7366 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | -0.1849 | |
| 210 | I | A | 0.0000 | |
| 211 | A | A | -0.2252 | |
| 212 | G | A | 0.0000 | |
| 213 | V | A | -1.0386 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | -2.4264 | |
| 216 | A | A | -1.9740 | |
| 217 | N | A | -2.1778 | |
| 218 | A | A | 0.0000 | |
| 219 | Q | A | -2.8777 | |
| 220 | A | A | -1.7335 | |
| 221 | I | A | 0.0000 | |
| 222 | A | A | -0.4063 | |
| 223 | F | A | 0.0000 | |
| 224 | N | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | R | A | -1.0027 | |
| 227 | Y | A | -1.6367 | |
| 228 | R | A | -2.2418 | |
| 229 | S | A | -1.4240 | |
| 230 | G | A | -1.2465 | |
| 231 | I | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | H | A | -0.3922 | |
| 235 | Y | A | 0.0000 | |
| 236 | N | A | -0.3582 | |
| 237 | P | A | 0.0000 | |
| 238 | R | A | -1.9945 | |
| 239 | F | A | 0.0000 | |
| 240 | D | A | -3.2547 | |
| 241 | E | A | -3.0425 | |
| 242 | N | A | -2.8054 | |
| 243 | V | A | -1.7465 | |
| 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 | -1.0627 | |
| 251 | M | A | -0.5885 | |
| 252 | E | A | -2.2831 | |
| 253 | R | A | -2.3670 | |
| 254 | W | A | -1.2096 | |
| 255 | G | A | -1.5003 | |
| 256 | S | A | -1.5768 | |
| 257 | E | A | -2.5449 | |
| 258 | E | A | -2.6984 | |
| 259 | R | A | -2.4193 | |
| 260 | S | A | -1.4590 | |
| 261 | G | A | -0.9183 | |
| 262 | G | A | -0.9601 | |
| 263 | M | A | -0.8969 | |
| 264 | P | A | -0.7153 | |
| 265 | F | A | 0.0000 | |
| 266 | Q | A | -2.3213 | |
| 267 | R | A | -2.8543 | |
| 268 | G | A | -1.9645 | |
| 269 | Q | A | -1.9534 | |
| 270 | P | A | -1.3676 | |
| 271 | F | A | 0.0000 | |
| 272 | Q | A | -0.6592 | |
| 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 | -1.1960 | |
| 279 | P | A | -1.2676 | |
| 280 | H | A | -1.7741 | |
| 281 | H | A | -1.6717 | |
| 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 | -1.6498 | |
| 288 | G | A | -1.3704 | |
| 289 | K | A | -1.5678 | |
| 290 | Q | A | -0.7702 | |
| 291 | V | A | -0.2768 | |
| 292 | H | A | 0.0000 | |
| 293 | T | A | -0.5187 | |
| 294 | Y | A | 0.0000 | |
| 295 | K | A | -2.2670 | |
| 296 | H | A | 0.0000 | |
| 297 | R | A | -1.3607 | |
| 298 | Y | A | -0.9434 | |
| 299 | T | A | -1.2684 | |
| 300 | N | A | -1.7152 | |
| 301 | L | A | -1.3558 | |
| 302 | S | A | -1.5864 | |
| 303 | D | A | -2.1124 | |
| 304 | I | A | 0.0000 | |
| 305 | D | A | -0.7174 | |
| 306 | I | A | -0.3885 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -0.7917 | |
| 309 | V | A | 0.0000 | |
| 310 | S | A | -0.7294 | |
| 311 | G | A | -1.0406 | |
| 312 | D | A | -1.8615 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | -1.2064 | |
| 315 | L | A | 0.0000 | |
| 316 | T | A | 0.0585 | |
| 317 | L | A | 0.2850 | |
| 318 | V | A | 0.0000 | |
| 319 | Q | A | -0.9844 | |
| 320 | A | A | -0.3720 |
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