| Chain sequence(s) |
A: MTSKVYDPEQRKRMITGPQWWARCKQMNVLDSFINYYDSEKHAENAVIFLHGNAASSYLWRHVVPHIEPVARCIIPDLIGMGKSGKSGNGSYRLLDHYKYLTAWFELLNLPKKIIFVGHDWGACLAFHYSYEHQDKIKAIVHAESVVDVIESWDEWPDIEEDIALIKSEEGEKMVLENNFFVETMLPSKIMRKLEPEEFAAYLEPFKEKGEVRRPTLSWPREIPLVKGGKPDVVQIVRNYNAYLRASDDLPKMFIESDPGFFSNAIVEGAKKFPNTEFVKVKGLHFSQEDAPDEMGKYIKSFVERVLKNEQ
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 (00:10:31)
[INFO] Main: Simulation completed successfully. (00:10:33)
|
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 | 0.4773 | |
| 2 | T | A | 0.0235 | |
| 3 | S | A | -0.3751 | |
| 4 | K | A | -1.3394 | |
| 5 | V | A | 0.4763 | |
| 6 | Y | A | -0.3911 | |
| 7 | D | A | -1.3959 | |
| 8 | P | A | -1.7660 | |
| 9 | E | A | -3.0663 | |
| 10 | Q | A | 0.0000 | |
| 11 | R | A | -2.6524 | |
| 12 | K | A | -3.1743 | |
| 13 | R | A | -2.1142 | |
| 14 | M | A | -1.3879 | |
| 15 | I | A | -0.5038 | |
| 16 | T | A | -0.6405 | |
| 17 | G | A | 0.0000 | |
| 18 | P | A | -1.1272 | |
| 19 | Q | A | -1.5579 | |
| 20 | W | A | 0.0000 | |
| 21 | W | A | 0.0000 | |
| 22 | A | A | -1.5483 | |
| 23 | R | A | -2.4914 | |
| 24 | C | A | -2.1890 | |
| 25 | K | A | -2.7446 | |
| 26 | Q | A | -2.1225 | |
| 27 | M | A | -0.8068 | |
| 28 | N | A | -0.9531 | |
| 29 | V | A | 0.0000 | |
| 30 | L | A | -0.1051 | |
| 31 | D | A | -1.8187 | |
| 32 | S | A | -0.9882 | |
| 33 | F | A | -0.4839 | |
| 34 | I | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | D | A | -1.8023 | |
| 39 | S | A | 0.0000 | |
| 40 | E | A | -3.1469 | |
| 41 | K | A | -3.3726 | |
| 42 | H | A | -2.7036 | |
| 43 | A | A | -2.4331 | |
| 44 | E | A | -2.9718 | |
| 45 | N | A | -1.7235 | |
| 46 | A | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | F | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | H | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | N | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | P | A | -0.6622 | |
| 66 | H | A | -1.0713 | |
| 67 | I | A | 0.0000 | |
| 68 | E | A | -1.2550 | |
| 69 | P | A | -0.8191 | |
| 70 | V | A | -0.7719 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | C | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | D | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | G | A | -1.0929 | |
| 81 | M | A | 0.0000 | |
| 82 | G | A | -0.5630 | |
| 83 | K | A | -1.3321 | |
| 84 | S | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | K | A | -2.4829 | |
| 87 | S | A | 0.0000 | |
| 88 | G | A | -2.0623 | |
| 89 | N | A | -2.2125 | |
| 90 | G | A | -1.9680 | |
| 91 | S | A | -1.3715 | |
| 92 | Y | A | 0.0000 | |
| 93 | R | A | -0.7507 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | -0.3266 | |
| 96 | D | A | -1.0220 | |
| 97 | H | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | K | A | -1.5492 | |
| 100 | Y | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | T | A | -0.7758 | |
| 103 | A | A | -0.5762 | |
| 104 | W | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | E | A | -1.1848 | |
| 107 | L | A | 0.3547 | |
| 108 | L | A | -0.1504 | |
| 109 | N | A | -1.3534 | |
| 110 | L | A | -1.1380 | |
| 111 | P | A | -1.8668 | |
| 112 | K | A | -2.8772 | |
| 113 | K | A | -2.5738 | |
| 114 | I | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | H | A | 0.0000 | |
| 120 | D | A | 0.0000 | |
| 121 | W | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | 0.0000 | |
| 129 | Y | A | -0.6771 | |
| 130 | S | A | 0.0000 | |
| 131 | Y | A | -1.0871 | |
| 132 | E | A | -2.1820 | |
| 133 | H | A | -2.4237 | |
| 134 | Q | A | -2.8770 | |
| 135 | D | A | -3.4984 | |
| 136 | K | A | -3.1987 | |
| 137 | I | A | 0.0000 | |
| 138 | K | A | -1.6965 | |
| 139 | A | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | E | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | D | A | -1.3130 | |
| 149 | V | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | E | A | -2.3301 | |
| 152 | S | A | -1.9778 | |
| 153 | W | A | -2.2744 | |
| 154 | D | A | -2.7747 | |
| 155 | E | A | -2.3298 | |
| 156 | W | A | 0.0000 | |
| 157 | P | A | -2.6683 | |
| 158 | D | A | -3.0672 | |
| 159 | I | A | 0.0000 | |
| 160 | E | A | -3.2758 | |
| 161 | E | A | -3.3120 | |
| 162 | D | A | -3.0238 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | -1.6447 | |
| 165 | L | A | -1.9000 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -2.2897 | |
| 168 | S | A | -2.5262 | |
| 169 | E | A | -3.5161 | |
| 170 | E | A | -3.4864 | |
| 171 | G | A | 0.0000 | |
| 172 | E | A | -3.0911 | |
| 173 | K | A | -3.9134 | |
| 174 | M | A | -2.3233 | |
| 175 | V | A | 0.0000 | |
| 176 | L | A | -2.9202 | |
| 177 | E | A | -3.9653 | |
| 178 | N | A | -3.3075 | |
| 179 | N | A | 0.0000 | |
| 180 | F | A | -1.0498 | |
| 181 | F | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | -1.6348 | |
| 184 | T | A | -0.8847 | |
| 185 | M | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -1.0331 | |
| 188 | S | A | -0.9483 | |
| 189 | K | A | -0.3443 | |
| 190 | I | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | R | A | 0.0000 | |
| 193 | K | A | -1.6444 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.9472 | |
| 196 | P | A | -1.0124 | |
| 197 | E | A | -1.0964 | |
| 198 | E | A | 0.0000 | |
| 199 | F | A | -0.6198 | |
| 200 | A | A | -0.8356 | |
| 201 | A | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | L | A | -1.2508 | |
| 204 | E | A | -1.8045 | |
| 205 | P | A | -1.3529 | |
| 206 | F | A | 0.0000 | |
| 207 | K | A | -3.5033 | |
| 208 | E | A | -4.1746 | |
| 209 | K | A | -4.3946 | |
| 210 | G | A | -3.2837 | |
| 211 | E | A | -2.9119 | |
| 212 | V | A | -2.0894 | |
| 213 | R | A | 0.0000 | |
| 214 | R | A | -1.4471 | |
| 215 | P | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.5993 | |
| 219 | W | A | 0.0000 | |
| 220 | P | A | -0.6361 | |
| 221 | R | A | -0.9514 | |
| 222 | E | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | V | A | -0.8999 | |
| 227 | K | A | -1.9708 | |
| 228 | G | A | -1.2985 | |
| 229 | G | A | -1.1102 | |
| 230 | K | A | -1.4846 | |
| 231 | P | A | -1.3090 | |
| 232 | D | A | -1.4211 | |
| 233 | V | A | 0.0000 | |
| 234 | V | A | -1.3314 | |
| 235 | Q | A | -1.7232 | |
| 236 | I | A | -0.9821 | |
| 237 | V | A | 0.0000 | |
| 238 | R | A | -1.9521 | |
| 239 | N | A | -1.3431 | |
| 240 | Y | A | 0.0000 | |
| 241 | N | A | 0.0000 | |
| 242 | A | A | -1.0374 | |
| 243 | Y | A | -1.1047 | |
| 244 | L | A | 0.0000 | |
| 245 | R | A | -2.6112 | |
| 246 | A | A | -1.6998 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -3.3691 | |
| 249 | D | A | -2.9833 | |
| 250 | L | A | 0.0000 | |
| 251 | P | A | -1.6031 | |
| 252 | K | A | 0.0000 | |
| 253 | M | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | E | A | -1.4733 | |
| 257 | S | A | 0.0000 | |
| 258 | D | A | -2.6547 | |
| 259 | P | A | -1.5686 | |
| 260 | G | A | -1.1588 | |
| 261 | F | A | -0.1889 | |
| 262 | F | A | -0.1036 | |
| 263 | S | A | 0.0000 | |
| 264 | N | A | -1.6368 | |
| 265 | A | A | -1.4861 | |
| 266 | I | A | -1.0339 | |
| 267 | V | A | -1.5491 | |
| 268 | E | A | -2.8223 | |
| 269 | G | A | -2.2764 | |
| 270 | A | A | 0.0000 | |
| 271 | K | A | -2.5491 | |
| 272 | K | A | -3.1892 | |
| 273 | F | A | 0.0000 | |
| 274 | P | A | -2.7808 | |
| 275 | N | A | -2.8571 | |
| 276 | T | A | -1.6891 | |
| 277 | E | A | -0.7243 | |
| 278 | F | A | 0.2465 | |
| 279 | V | A | -0.3913 | |
| 280 | K | A | -2.3491 | |
| 281 | V | A | 0.0000 | |
| 282 | K | A | -2.7777 | |
| 283 | G | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | H | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | Q | A | 0.0000 | |
| 289 | E | A | 0.0000 | |
| 290 | D | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | D | A | -1.9638 | |
| 294 | E | A | -2.9304 | |
| 295 | M | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | K | A | -2.3692 | |
| 298 | Y | A | -1.1829 | |
| 299 | I | A | 0.0000 | |
| 300 | K | A | -1.6467 | |
| 301 | S | A | -1.3531 | |
| 302 | F | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | E | A | -2.7709 | |
| 305 | R | A | -3.6065 | |
| 306 | V | A | 0.0000 | |
| 307 | L | A | -2.9441 | |
| 308 | K | A | -4.1747 | |
| 309 | N | A | -4.0002 | |
| 310 | E | A | -3.9121 | |
| 311 | Q | A | -3.0338 |
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