| Chain sequence(s) |
A: MAISKEDVLEYISNLSVLELSELVKEFEEKFGVSAAPVMIAGGAAAGGAAAAAEEKTEFDIVLTDGGAKKIEVIKIVRALTGLGLKEAKDAVEQTPSTLKEGVAKAEAEEAKKQLEEAGAKVELKEAAAKKFKPEIAIRAAYGSADQQSLYAAYELREQLSSVAAYGENHKSDNLAAYKEEPLKGSWGPGPGAIDEITNKNTFTAVGGPGPGTNKNTFTAVGKEFNHGPGPGVTTIRNKHSNGTTHDKKYHHQNEQGSGYAADLKSTQNAIDEKKTIRNKHSNGTTHDRT
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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:29)
[INFO] Main: Simulation completed successfully. (00:08:32)
|
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 | 1.1400 | |
| 2 | A | A | 0.5025 | |
| 3 | I | A | -0.1714 | |
| 4 | S | A | -0.8595 | |
| 5 | K | A | 0.0000 | |
| 6 | E | A | -2.7005 | |
| 7 | D | A | -2.6117 | |
| 8 | V | A | 0.0000 | |
| 9 | L | A | -1.3094 | |
| 10 | E | A | -1.6026 | |
| 11 | Y | A | -0.1607 | |
| 12 | I | A | 0.0000 | |
| 13 | S | A | -0.0794 | |
| 14 | N | A | 0.0697 | |
| 15 | L | A | 0.3677 | |
| 16 | S | A | 0.0216 | |
| 17 | V | A | 0.5325 | |
| 18 | L | A | 0.7621 | |
| 19 | E | A | -0.9395 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -1.0486 | |
| 22 | E | A | -2.7904 | |
| 23 | L | A | -1.5982 | |
| 24 | V | A | -1.9451 | |
| 25 | K | A | -3.7156 | |
| 26 | E | A | -3.8330 | |
| 27 | F | A | 0.0000 | |
| 28 | E | A | -2.5676 | |
| 29 | E | A | -3.5212 | |
| 30 | K | A | -2.8800 | |
| 31 | F | A | -0.6278 | |
| 32 | G | A | -0.6462 | |
| 33 | V | A | -0.2951 | |
| 34 | S | A | 0.0803 | |
| 35 | A | A | 0.5243 | |
| 36 | A | A | 0.0000 | |
| 37 | P | A | 0.5549 | |
| 38 | V | A | 0.0000 | |
| 39 | M | A | 0.0000 | |
| 40 | I | A | 0.5352 | |
| 41 | A | A | 0.0000 | |
| 42 | G | A | 0.2505 | |
| 43 | G | A | 0.0000 | |
| 44 | A | A | 0.2299 | |
| 45 | A | A | 0.0000 | |
| 46 | A | A | 0.0048 | |
| 47 | G | A | 0.0000 | |
| 48 | G | A | -0.0549 | |
| 49 | A | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | A | A | -1.0930 | |
| 52 | A | A | -1.3218 | |
| 53 | A | A | 0.0000 | |
| 54 | E | A | -2.7769 | |
| 55 | E | A | -3.0681 | |
| 56 | K | A | -3.2970 | |
| 57 | T | A | -2.2290 | |
| 58 | E | A | -2.8791 | |
| 59 | F | A | 0.0000 | |
| 60 | D | A | -2.8060 | |
| 61 | I | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -2.0277 | |
| 65 | D | A | -2.9195 | |
| 66 | G | A | 0.0000 | |
| 67 | G | A | -2.2540 | |
| 68 | A | A | -1.5743 | |
| 69 | K | A | -2.2172 | |
| 70 | K | A | -2.0611 | |
| 71 | I | A | -0.1419 | |
| 72 | E | A | -1.9384 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | K | A | -1.8145 | |
| 76 | I | A | -1.3706 | |
| 77 | V | A | 0.0000 | |
| 78 | R | A | -1.9883 | |
| 79 | A | A | -0.8008 | |
| 80 | L | A | -0.8436 | |
| 81 | T | A | -0.8102 | |
| 82 | G | A | -0.7306 | |
| 83 | L | A | -1.1354 | |
| 84 | G | A | -1.2909 | |
| 85 | L | A | -1.4869 | |
| 86 | K | A | -2.9027 | |
| 87 | E | A | -3.2927 | |
| 88 | A | A | 0.0000 | |
| 89 | K | A | -3.3006 | |
| 90 | D | A | -3.8410 | |
| 91 | A | A | -2.7862 | |
| 92 | V | A | 0.0000 | |
| 93 | E | A | -3.6199 | |
| 94 | Q | A | -2.9655 | |
| 95 | T | A | -1.9372 | |
| 96 | P | A | -1.4729 | |
| 97 | S | A | -1.1622 | |
| 98 | T | A | -1.0049 | |
| 99 | L | A | 0.0000 | |
| 100 | K | A | -1.5600 | |
| 101 | E | A | -2.6320 | |
| 102 | G | A | -2.2034 | |
| 103 | V | A | 0.0000 | |
| 104 | A | A | -2.1144 | |
| 105 | K | A | -3.2915 | |
| 106 | A | A | -2.3057 | |
| 107 | E | A | -3.3709 | |
| 108 | A | A | 0.0000 | |
| 109 | E | A | -3.3751 | |
| 110 | E | A | -3.7608 | |
| 111 | A | A | 0.0000 | |
| 112 | K | A | -3.5644 | |
| 113 | K | A | -4.2758 | |
| 114 | Q | A | -2.8964 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -4.1557 | |
| 117 | E | A | -3.8273 | |
| 118 | A | A | 0.0000 | |
| 119 | G | A | -2.8753 | |
| 120 | A | A | 0.0000 | |
| 121 | K | A | -3.4946 | |
| 122 | V | A | 0.0000 | |
| 123 | E | A | -2.4186 | |
| 124 | L | A | -1.9416 | |
| 125 | K | A | -2.9216 | |
| 126 | E | A | -3.1541 | |
| 127 | A | A | -2.8580 | |
| 128 | A | A | -1.9930 | |
| 129 | A | A | -2.6256 | |
| 130 | K | A | -2.9770 | |
| 131 | K | A | -2.4642 | |
| 132 | F | A | -1.0666 | |
| 133 | K | A | -1.0298 | |
| 134 | P | A | 0.0000 | |
| 135 | E | A | -0.5250 | |
| 136 | I | A | -0.2462 | |
| 137 | A | A | -0.4021 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | -1.2360 | |
| 140 | A | A | -1.0074 | |
| 141 | A | A | -0.6824 | |
| 142 | Y | A | 0.0000 | |
| 143 | G | A | -1.0804 | |
| 144 | S | A | -1.1731 | |
| 145 | A | A | -1.0694 | |
| 146 | D | A | -2.1362 | |
| 147 | Q | A | -1.5403 | |
| 148 | Q | A | -0.9433 | |
| 149 | S | A | -1.0675 | |
| 150 | L | A | -0.3095 | |
| 151 | Y | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | A | A | 0.2372 | |
| 154 | Y | A | 0.3527 | |
| 155 | E | A | 0.0000 | |
| 156 | L | A | 0.3922 | |
| 157 | R | A | 0.0000 | |
| 158 | E | A | 0.0000 | |
| 159 | Q | A | 0.0076 | |
| 160 | L | A | 0.8726 | |
| 161 | S | A | 0.4163 | |
| 162 | S | A | 0.1982 | |
| 163 | V | A | 0.2852 | |
| 164 | A | A | -0.5434 | |
| 165 | A | A | -1.0024 | |
| 166 | Y | A | -2.0543 | |
| 167 | G | A | -2.0676 | |
| 168 | E | A | -2.9269 | |
| 169 | N | A | -3.0055 | |
| 170 | H | A | -3.0579 | |
| 171 | K | A | -3.2088 | |
| 172 | S | A | -2.4897 | |
| 173 | D | A | -2.7311 | |
| 174 | N | A | -2.4132 | |
| 175 | L | A | -1.9550 | |
| 176 | A | A | -2.0109 | |
| 177 | A | A | -2.0808 | |
| 178 | Y | A | -2.2035 | |
| 179 | K | A | -2.9958 | |
| 180 | E | A | -3.1952 | |
| 181 | E | A | -2.7180 | |
| 182 | P | A | -1.7159 | |
| 183 | L | A | -1.4232 | |
| 184 | K | A | -2.1137 | |
| 185 | G | A | -1.1256 | |
| 186 | S | A | -0.5485 | |
| 187 | W | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | P | A | -0.6799 | |
| 190 | G | A | -1.0188 | |
| 191 | P | A | -1.0166 | |
| 192 | G | A | -1.1704 | |
| 193 | A | A | -0.8603 | |
| 194 | I | A | -1.0390 | |
| 195 | D | A | 0.0000 | |
| 196 | E | A | -2.3268 | |
| 197 | I | A | -1.1705 | |
| 198 | T | A | -1.3012 | |
| 199 | N | A | -2.3085 | |
| 200 | K | A | -2.1076 | |
| 201 | N | A | -2.1026 | |
| 202 | T | A | -0.7667 | |
| 203 | F | A | -0.1390 | |
| 204 | T | A | -0.0459 | |
| 205 | A | A | 0.0000 | |
| 206 | V | A | 0.2143 | |
| 207 | G | A | -0.7158 | |
| 208 | G | A | -0.5426 | |
| 209 | P | A | -0.7440 | |
| 210 | G | A | -1.0691 | |
| 211 | P | A | -1.3924 | |
| 212 | G | A | -1.1261 | |
| 213 | T | A | -1.0004 | |
| 214 | N | A | -1.5435 | |
| 215 | K | A | -2.1185 | |
| 216 | N | A | -1.7536 | |
| 217 | T | A | -1.0159 | |
| 218 | F | A | -0.8648 | |
| 219 | T | A | -0.3178 | |
| 220 | A | A | 0.1387 | |
| 221 | V | A | 0.8159 | |
| 222 | G | A | -0.6355 | |
| 223 | K | A | -0.9834 | |
| 224 | E | A | -0.8495 | |
| 225 | F | A | 0.0000 | |
| 226 | N | A | -0.6369 | |
| 227 | H | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | P | A | 0.0000 | |
| 230 | G | A | -0.5017 | |
| 231 | P | A | -0.4386 | |
| 232 | G | A | -0.9669 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | -1.0783 | |
| 235 | T | A | -0.6787 | |
| 236 | I | A | -0.5493 | |
| 237 | R | A | -2.7470 | |
| 238 | N | A | -3.1701 | |
| 239 | K | A | -3.4970 | |
| 240 | H | A | -3.0222 | |
| 241 | S | A | -1.9822 | |
| 242 | N | A | -2.2431 | |
| 243 | G | A | -2.3983 | |
| 244 | T | A | -2.0477 | |
| 245 | T | A | -1.6719 | |
| 246 | H | A | -2.3243 | |
| 247 | D | A | -3.3036 | |
| 248 | K | A | -2.8693 | |
| 249 | K | A | -1.6321 | |
| 250 | Y | A | 0.1581 | |
| 251 | H | A | -0.7287 | |
| 252 | H | A | -1.7933 | |
| 253 | Q | A | -3.0910 | |
| 254 | N | A | -3.5558 | |
| 255 | E | A | -3.4275 | |
| 256 | Q | A | -2.9437 | |
| 257 | G | A | -2.5768 | |
| 258 | S | A | -2.0149 | |
| 259 | G | A | -0.5266 | |
| 260 | Y | A | 0.5335 | |
| 261 | A | A | 0.6872 | |
| 262 | A | A | -0.2118 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0371 | |
| 265 | K | A | -1.6868 | |
| 266 | S | A | -1.6380 | |
| 267 | T | A | -1.3915 | |
| 268 | Q | A | -1.5123 | |
| 269 | N | A | -2.2925 | |
| 270 | A | A | -1.6633 | |
| 271 | I | A | -1.4094 | |
| 272 | D | A | -2.8181 | |
| 273 | E | A | -3.6148 | |
| 274 | K | A | -3.5450 | |
| 275 | K | A | -3.7815 | |
| 276 | T | A | -3.2055 | |
| 277 | I | A | -3.1773 | |
| 278 | R | A | -4.3289 | |
| 279 | N | A | -4.1221 | |
| 280 | K | A | -3.8219 | |
| 281 | H | A | -2.8842 | |
| 282 | S | A | -2.8345 | |
| 283 | N | A | -3.1214 | |
| 284 | G | A | -2.7117 | |
| 285 | T | A | 0.0000 | |
| 286 | T | A | -2.3010 | |
| 287 | H | A | -2.6201 | |
| 288 | D | A | -2.9401 | |
| 289 | R | A | -2.1582 | |
| 290 | T | A | -1.3304 |
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