| Chain sequence(s) |
A: MAKKVNWYVSCSPRSPEKIQPELKVLANFEGSYWKGVKGYKAQEAFAKELAALPQFLGTTYKKEAAFSTRDRVAPMKTYGFVFVDEEGYLRITEAGKMLANNRRPKDVFLKQLVKWQYPSFQHKGKEYPEEEWSINPLVFVLSLLKKVGGLSKLDIAMFCLTATNNNQVDEIAEEIMQFRNEREKIKGQNKKLEFTENYFFKRFEKIYGNVGKIREGKSDSSHKSKIETKMRNARDVADATTRYFRYTGLFVARGNQLVLNPEKSDLIDEIISSSKVVKNYTRVEEFHEYYG
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 (00:06:05)
[INFO] Main: Simulation completed successfully. (00:06:07)
|
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 | 0.1284 | |
| 2 | A | A | -0.9513 | |
| 3 | K | A | -1.9040 | |
| 4 | K | A | -1.6450 | |
| 5 | V | A | -0.3610 | |
| 6 | N | A | -0.1235 | |
| 7 | W | A | 0.0000 | |
| 8 | Y | A | 0.4135 | |
| 9 | V | A | 0.0000 | |
| 10 | S | A | -0.1992 | |
| 11 | C | A | -0.3041 | |
| 12 | S | A | -0.5190 | |
| 13 | P | A | 0.0000 | |
| 14 | R | A | -1.0117 | |
| 15 | S | A | 0.0000 | |
| 16 | P | A | 0.0000 | |
| 17 | E | A | -2.5173 | |
| 18 | K | A | -2.0314 | |
| 19 | I | A | 0.0000 | |
| 20 | Q | A | -1.9211 | |
| 21 | P | A | -1.6169 | |
| 22 | E | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | K | A | -2.5573 | |
| 25 | V | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | A | A | -1.9397 | |
| 28 | N | A | -2.1316 | |
| 29 | F | A | -1.2682 | |
| 30 | E | A | -1.7799 | |
| 31 | G | A | -1.0940 | |
| 32 | S | A | -1.0565 | |
| 33 | Y | A | -0.7849 | |
| 34 | W | A | 0.0000 | |
| 35 | K | A | -1.8638 | |
| 36 | G | A | -0.5963 | |
| 37 | V | A | 0.5371 | |
| 38 | K | A | -1.2820 | |
| 39 | G | A | 0.0000 | |
| 40 | Y | A | -0.1193 | |
| 41 | K | A | -1.4530 | |
| 42 | A | A | -1.2420 | |
| 43 | Q | A | 0.0000 | |
| 44 | E | A | -1.8598 | |
| 45 | A | A | -1.6601 | |
| 46 | F | A | 0.0000 | |
| 47 | A | A | -1.8798 | |
| 48 | K | A | -2.7852 | |
| 49 | E | A | -2.8407 | |
| 50 | L | A | 0.0000 | |
| 51 | A | A | -0.6577 | |
| 52 | A | A | -0.5150 | |
| 53 | L | A | -0.2234 | |
| 54 | P | A | 0.1666 | |
| 55 | Q | A | -0.1523 | |
| 56 | F | A | 0.5054 | |
| 57 | L | A | 1.0561 | |
| 58 | G | A | 0.1461 | |
| 59 | T | A | 0.0851 | |
| 60 | T | A | -0.3364 | |
| 61 | Y | A | -0.5984 | |
| 62 | K | A | -1.9736 | |
| 63 | K | A | -2.7384 | |
| 64 | E | A | -2.5522 | |
| 65 | A | A | -1.2549 | |
| 66 | A | A | -1.0378 | |
| 67 | F | A | -0.8252 | |
| 68 | S | A | -1.1200 | |
| 69 | T | A | -1.7473 | |
| 70 | R | A | -2.6482 | |
| 71 | D | A | -2.5621 | |
| 72 | R | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | A | A | -1.3123 | |
| 75 | P | A | 0.0000 | |
| 76 | M | A | 0.0000 | |
| 77 | K | A | -0.4733 | |
| 78 | T | A | -0.3146 | |
| 79 | Y | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | V | A | -1.2398 | |
| 85 | D | A | -2.1644 | |
| 86 | E | A | -3.2457 | |
| 87 | E | A | -2.7433 | |
| 88 | G | A | 0.0000 | |
| 89 | Y | A | -0.9969 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -1.1690 | |
| 92 | I | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | E | A | -2.4177 | |
| 95 | A | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | K | A | -2.3982 | |
| 98 | M | A | -2.4283 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | -2.4597 | |
| 101 | N | A | -3.0532 | |
| 102 | N | A | -3.4830 | |
| 103 | R | A | -3.5244 | |
| 104 | R | A | -3.5726 | |
| 105 | P | A | -2.9746 | |
| 106 | K | A | -2.9565 | |
| 107 | D | A | -2.4539 | |
| 108 | V | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | L | A | -1.0358 | |
| 111 | K | A | -1.3572 | |
| 112 | Q | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | -0.3425 | |
| 115 | K | A | -0.5386 | |
| 116 | W | A | 0.0000 | |
| 117 | Q | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | F | A | -1.0178 | |
| 122 | Q | A | -0.7451 | |
| 123 | H | A | -1.1747 | |
| 124 | K | A | -1.7761 | |
| 125 | G | A | -2.2830 | |
| 126 | K | A | -3.0000 | |
| 127 | E | A | -2.9744 | |
| 128 | Y | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | E | A | -3.1019 | |
| 131 | E | A | -2.7667 | |
| 132 | E | A | -2.2020 | |
| 133 | W | A | 0.0000 | |
| 134 | S | A | -1.4892 | |
| 135 | I | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | P | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | S | A | -1.3042 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | K | A | -2.6093 | |
| 147 | K | A | -3.1848 | |
| 148 | V | A | 0.0000 | |
| 149 | G | A | -1.4595 | |
| 150 | G | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -1.3942 | |
| 153 | K | A | -1.7125 | |
| 154 | L | A | -0.7754 | |
| 155 | D | A | -0.5420 | |
| 156 | I | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | F | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | 0.0312 | |
| 163 | A | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | N | A | -1.3873 | |
| 166 | N | A | -1.5368 | |
| 167 | N | A | -2.1971 | |
| 168 | Q | A | -2.2188 | |
| 169 | V | A | -2.5446 | |
| 170 | D | A | -3.6689 | |
| 171 | E | A | -3.3565 | |
| 172 | I | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | -3.4834 | |
| 175 | E | A | -2.3574 | |
| 176 | I | A | 0.0000 | |
| 177 | M | A | -1.9603 | |
| 178 | Q | A | -2.6733 | |
| 179 | F | A | 0.0000 | |
| 180 | R | A | -2.9039 | |
| 181 | N | A | -3.6540 | |
| 182 | E | A | -3.8168 | |
| 183 | R | A | -3.8723 | |
| 184 | E | A | -4.3259 | |
| 185 | K | A | -3.9517 | |
| 186 | I | A | -3.4577 | |
| 187 | K | A | -3.5176 | |
| 188 | G | A | -3.0007 | |
| 189 | Q | A | -3.1622 | |
| 190 | N | A | -3.0995 | |
| 191 | K | A | -3.6267 | |
| 192 | K | A | -3.3518 | |
| 193 | L | A | -1.5481 | |
| 194 | E | A | -2.8398 | |
| 195 | F | A | -1.8286 | |
| 196 | T | A | 0.0000 | |
| 197 | E | A | -1.8906 | |
| 198 | N | A | -1.9040 | |
| 199 | Y | A | -1.2890 | |
| 200 | F | A | 0.0000 | |
| 201 | F | A | -2.1448 | |
| 202 | K | A | -2.7055 | |
| 203 | R | A | -1.9044 | |
| 204 | F | A | 0.0000 | |
| 205 | E | A | -2.9494 | |
| 206 | K | A | -2.6186 | |
| 207 | I | A | -1.2120 | |
| 208 | Y | A | 0.0000 | |
| 209 | G | A | -1.3243 | |
| 210 | N | A | -0.4888 | |
| 211 | V | A | -0.1643 | |
| 212 | G | A | -1.2105 | |
| 213 | K | A | -2.3486 | |
| 214 | I | A | -2.2553 | |
| 215 | R | A | -3.8641 | |
| 216 | E | A | -3.7360 | |
| 217 | G | A | -3.1274 | |
| 218 | K | A | -3.8349 | |
| 219 | S | A | -2.9076 | |
| 220 | D | A | -2.9160 | |
| 221 | S | A | -2.0232 | |
| 222 | S | A | -1.8385 | |
| 223 | H | A | -2.5347 | |
| 224 | K | A | -2.8882 | |
| 225 | S | A | -2.2801 | |
| 226 | K | A | -2.2735 | |
| 227 | I | A | 0.0000 | |
| 228 | E | A | -2.9619 | |
| 229 | T | A | -2.3410 | |
| 230 | K | A | -2.5046 | |
| 231 | M | A | 0.0000 | |
| 232 | R | A | -3.5197 | |
| 233 | N | A | -3.0363 | |
| 234 | A | A | 0.0000 | |
| 235 | R | A | -2.5933 | |
| 236 | D | A | -2.3909 | |
| 237 | V | A | -1.2215 | |
| 238 | A | A | 0.0000 | |
| 239 | D | A | -1.1918 | |
| 240 | A | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | R | A | -1.2618 | |
| 244 | Y | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | R | A | -0.8522 | |
| 247 | Y | A | -1.0393 | |
| 248 | T | A | 0.0000 | |
| 249 | G | A | -0.7598 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | V | A | -0.2981 | |
| 253 | A | A | -1.3763 | |
| 254 | R | A | -2.4197 | |
| 255 | G | A | -2.0915 | |
| 256 | N | A | -2.4692 | |
| 257 | Q | A | -2.1172 | |
| 258 | L | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | -0.8036 | |
| 261 | N | A | 0.0000 | |
| 262 | P | A | -1.4330 | |
| 263 | E | A | -2.4750 | |
| 264 | K | A | -2.2451 | |
| 265 | S | A | -2.5060 | |
| 266 | D | A | -3.2124 | |
| 267 | L | A | -2.0597 | |
| 268 | I | A | 0.0000 | |
| 269 | D | A | -3.2205 | |
| 270 | E | A | -2.9969 | |
| 271 | I | A | 0.0000 | |
| 272 | I | A | -1.0971 | |
| 273 | S | A | -1.3672 | |
| 274 | S | A | -1.2666 | |
| 275 | S | A | -1.0183 | |
| 276 | K | A | -1.5773 | |
| 277 | V | A | -0.9777 | |
| 278 | V | A | -1.2044 | |
| 279 | K | A | -2.4599 | |
| 280 | N | A | -2.7511 | |
| 281 | Y | A | 0.0000 | |
| 282 | T | A | -2.0972 | |
| 283 | R | A | -3.0393 | |
| 284 | V | A | 0.0000 | |
| 285 | E | A | -3.1017 | |
| 286 | E | A | -3.3915 | |
| 287 | F | A | 0.0000 | |
| 288 | H | A | 0.0000 | |
| 289 | E | A | -2.6905 | |
| 290 | Y | A | -1.1641 | |
| 291 | Y | A | 0.0000 | |
| 292 | G | A | -1.4465 |
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