| Chain sequence(s) |
A: MGIQETDPLTQLSLPPGFRFYPTDEELMVQYLCRKAAGYDFSLQLIAEIDLYKFDPWVLPNKALFGEKEWYFFSPRDRKYPNGSRPNRVAGSGYWKATGTDKIISTEGQRVGIKKALVFYIGKAPKGTKTNWIMHEYRLIEPSRRNGSTKLDDWVLCRIYKKQSSAQKQVYDNGIANAREFSNNGTSSTTSSSSHFEDVLDSFHQEIDNRNFQFSNPNRISSLRPDLTEQKTGFHGLADTSNFDWASFAGNVEHNNSVPELGMSHVVPNLEYNCGYLKTEEEVESSHGFNNSGELAQKGYGVDSFGYSGQVGGFGFM
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.1570 | |
| 2 | G | A | 0.4773 | |
| 3 | I | A | 0.9629 | |
| 4 | Q | A | -1.2482 | |
| 5 | E | A | -2.2467 | |
| 6 | T | A | -1.6703 | |
| 7 | D | A | -1.6877 | |
| 8 | P | A | -0.6778 | |
| 9 | L | A | 0.2212 | |
| 10 | T | A | -0.5266 | |
| 11 | Q | A | -0.9666 | |
| 12 | L | A | 0.1550 | |
| 13 | S | A | 0.0775 | |
| 14 | L | A | 0.8083 | |
| 15 | P | A | 0.2468 | |
| 16 | P | A | -0.1025 | |
| 17 | G | A | -0.0681 | |
| 18 | F | A | 1.1439 | |
| 19 | R | A | -0.6325 | |
| 20 | F | A | 0.5147 | |
| 21 | Y | A | 1.0322 | |
| 22 | P | A | -0.0827 | |
| 23 | T | A | -0.5257 | |
| 24 | D | A | -0.9423 | |
| 25 | E | A | -1.7028 | |
| 26 | E | A | -1.4143 | |
| 27 | L | A | 0.0000 | |
| 28 | M | A | 0.0000 | |
| 29 | V | A | -0.4433 | |
| 30 | Q | A | -0.7195 | |
| 31 | Y | A | -0.1570 | |
| 32 | L | A | 0.0000 | |
| 33 | C | A | -0.0417 | |
| 34 | R | A | -0.3642 | |
| 35 | K | A | -0.2971 | |
| 36 | A | A | 0.0000 | |
| 37 | A | A | -0.8790 | |
| 38 | G | A | -0.4761 | |
| 39 | Y | A | 0.1274 | |
| 40 | D | A | -1.2747 | |
| 41 | F | A | -0.4392 | |
| 42 | S | A | -0.2502 | |
| 43 | L | A | -0.1174 | |
| 44 | Q | A | -0.6452 | |
| 45 | L | A | 0.1530 | |
| 46 | I | A | 0.0000 | |
| 47 | A | A | -0.7683 | |
| 48 | E | A | -1.9012 | |
| 49 | I | A | -1.3104 | |
| 50 | D | A | -1.5906 | |
| 51 | L | A | 0.0000 | |
| 52 | Y | A | 0.0000 | |
| 53 | K | A | -1.5604 | |
| 54 | F | A | -0.2386 | |
| 55 | D | A | 0.2167 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.5583 | |
| 58 | V | A | 0.4558 | |
| 59 | L | A | 0.0000 | |
| 60 | P | A | -0.9645 | |
| 61 | N | A | -1.2218 | |
| 62 | K | A | -1.1889 | |
| 63 | A | A | -0.6551 | |
| 64 | L | A | 0.0869 | |
| 65 | F | A | -0.5343 | |
| 66 | G | A | -1.7256 | |
| 67 | E | A | -2.9802 | |
| 68 | K | A | -3.2776 | |
| 69 | E | A | -1.9188 | |
| 70 | W | A | -1.1072 | |
| 71 | Y | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | P | A | -1.5476 | |
| 76 | R | A | -2.2596 | |
| 77 | D | A | -2.5718 | |
| 78 | R | A | -3.0587 | |
| 79 | K | A | -2.3121 | |
| 80 | Y | A | -0.7874 | |
| 81 | P | A | -1.1916 | |
| 82 | N | A | -1.6848 | |
| 83 | G | A | -1.7088 | |
| 84 | S | A | -1.8595 | |
| 85 | R | A | -2.9263 | |
| 86 | P | A | -2.2439 | |
| 87 | N | A | -1.5708 | |
| 88 | R | A | -0.8225 | |
| 89 | V | A | 0.7753 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | -0.3683 | |
| 92 | S | A | -0.2527 | |
| 93 | G | A | 0.0000 | |
| 94 | Y | A | -0.0476 | |
| 95 | W | A | 0.0000 | |
| 96 | K | A | -1.6710 | |
| 97 | A | A | -1.0358 | |
| 98 | T | A | -0.7864 | |
| 99 | G | A | -0.8791 | |
| 100 | T | A | -0.9170 | |
| 101 | D | A | -1.2661 | |
| 102 | K | A | -1.4520 | |
| 103 | I | A | -0.0009 | |
| 104 | I | A | 0.0000 | |
| 105 | S | A | -1.6171 | |
| 106 | T | A | 0.0000 | |
| 107 | E | A | -2.1806 | |
| 108 | G | A | -1.7464 | |
| 109 | Q | A | -1.7982 | |
| 110 | R | A | -2.1300 | |
| 111 | V | A | -0.9452 | |
| 112 | G | A | 0.0000 | |
| 113 | I | A | -0.1756 | |
| 114 | K | A | -0.7765 | |
| 115 | K | A | -0.9111 | |
| 116 | A | A | -0.8985 | |
| 117 | L | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | Y | A | -0.7924 | |
| 121 | I | A | 0.1398 | |
| 122 | G | A | -0.9662 | |
| 123 | K | A | -1.8535 | |
| 124 | A | A | -1.3491 | |
| 125 | P | A | -1.6810 | |
| 126 | K | A | -2.4052 | |
| 127 | G | A | -1.7454 | |
| 128 | T | A | -1.1435 | |
| 129 | K | A | -1.9285 | |
| 130 | T | A | -1.2304 | |
| 131 | N | A | -2.1171 | |
| 132 | W | A | 0.0000 | |
| 133 | I | A | -0.9133 | |
| 134 | M | A | 0.0000 | |
| 135 | H | A | -0.2626 | |
| 136 | E | A | 0.0000 | |
| 137 | Y | A | 0.0000 | |
| 138 | R | A | -0.2591 | |
| 139 | L | A | -0.2159 | |
| 140 | I | A | -0.1349 | |
| 141 | E | A | -2.0446 | |
| 142 | P | A | -1.9559 | |
| 143 | S | A | -2.3514 | |
| 144 | R | A | -3.7059 | |
| 145 | R | A | -3.5135 | |
| 146 | N | A | -3.0062 | |
| 147 | G | A | -2.1570 | |
| 148 | S | A | -1.8561 | |
| 149 | T | A | -1.5919 | |
| 150 | K | A | -1.8326 | |
| 151 | L | A | -1.0597 | |
| 152 | D | A | -1.7184 | |
| 153 | D | A | -1.5553 | |
| 154 | W | A | -0.9538 | |
| 155 | V | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | R | A | -0.2236 | |
| 159 | I | A | 0.0000 | |
| 160 | Y | A | -1.9279 | |
| 161 | K | A | -3.1035 | |
| 162 | K | A | -3.4511 | |
| 163 | Q | A | -3.1439 | |
| 164 | S | A | -2.1683 | |
| 165 | S | A | -1.8423 | |
| 166 | A | A | -1.3739 | |
| 167 | Q | A | -2.0025 | |
| 168 | K | A | -2.7241 | |
| 169 | Q | A | -1.9681 | |
| 170 | V | A | 0.1189 | |
| 171 | Y | A | 0.1323 | |
| 172 | D | A | -1.6565 | |
| 173 | N | A | -1.6195 | |
| 174 | G | A | -0.3151 | |
| 175 | I | A | 0.9750 | |
| 176 | A | A | -0.4876 | |
| 177 | N | A | -1.6852 | |
| 178 | A | A | -1.2717 | |
| 179 | R | A | -2.6144 | |
| 180 | E | A | -1.9702 | |
| 181 | F | A | 0.2993 | |
| 182 | S | A | -0.6110 | |
| 183 | N | A | -1.6861 | |
| 184 | N | A | -2.1707 | |
| 185 | G | A | -1.4247 | |
| 186 | T | A | -0.7227 | |
| 187 | S | A | -0.4635 | |
| 188 | S | A | -0.3845 | |
| 189 | T | A | -0.3028 | |
| 190 | T | A | -0.3006 | |
| 191 | S | A | -0.4095 | |
| 192 | S | A | -0.6142 | |
| 193 | S | A | -0.4777 | |
| 194 | S | A | -0.8713 | |
| 195 | H | A | -0.8442 | |
| 196 | F | A | 0.7120 | |
| 197 | E | A | -1.3927 | |
| 198 | D | A | -1.5785 | |
| 199 | V | A | 1.2172 | |
| 200 | L | A | 1.0795 | |
| 201 | D | A | -1.3920 | |
| 202 | S | A | -0.5780 | |
| 203 | F | A | 1.1161 | |
| 204 | H | A | -1.1937 | |
| 205 | Q | A | -2.2853 | |
| 206 | E | A | -2.2780 | |
| 207 | I | A | -0.6816 | |
| 208 | D | A | -2.9453 | |
| 209 | N | A | -3.0574 | |
| 210 | R | A | -2.9919 | |
| 211 | N | A | -1.8611 | |
| 212 | F | A | 0.6602 | |
| 213 | Q | A | -0.1250 | |
| 214 | F | A | 1.2946 | |
| 215 | S | A | -0.1861 | |
| 216 | N | A | -1.6949 | |
| 217 | P | A | -1.5036 | |
| 218 | N | A | -2.2270 | |
| 219 | R | A | -1.7627 | |
| 220 | I | A | 0.8103 | |
| 221 | S | A | 0.3757 | |
| 222 | S | A | 0.2856 | |
| 223 | L | A | 0.6701 | |
| 224 | R | A | -1.7222 | |
| 225 | P | A | -1.4501 | |
| 226 | D | A | -1.6160 | |
| 227 | L | A | 0.1956 | |
| 228 | T | A | -0.9531 | |
| 229 | E | A | -2.4504 | |
| 230 | Q | A | -3.0520 | |
| 231 | K | A | -2.8751 | |
| 232 | T | A | -0.9917 | |
| 233 | G | A | -0.3175 | |
| 234 | F | A | 1.1260 | |
| 235 | H | A | -0.0653 | |
| 236 | G | A | 0.2520 | |
| 237 | L | A | 0.7708 | |
| 238 | A | A | -0.0483 | |
| 239 | D | A | -1.5180 | |
| 240 | T | A | -1.3204 | |
| 241 | S | A | -0.7962 | |
| 242 | N | A | -0.8607 | |
| 243 | F | A | 0.6372 | |
| 244 | D | A | -0.5877 | |
| 245 | W | A | 1.1330 | |
| 246 | A | A | 0.7076 | |
| 247 | S | A | 0.6463 | |
| 248 | F | A | 1.8365 | |
| 249 | A | A | 0.7907 | |
| 250 | G | A | -0.1516 | |
| 251 | N | A | -0.9673 | |
| 252 | V | A | -0.1699 | |
| 253 | E | A | -2.0395 | |
| 254 | H | A | -2.5823 | |
| 255 | N | A | -2.6625 | |
| 256 | N | A | -1.8405 | |
| 257 | S | A | -0.3200 | |
| 258 | V | A | 0.8414 | |
| 259 | P | A | 0.1132 | |
| 260 | E | A | -0.8926 | |
| 261 | L | A | 0.6314 | |
| 262 | G | A | 0.2738 | |
| 263 | M | A | 1.0362 | |
| 264 | S | A | 0.4060 | |
| 265 | H | A | 0.3962 | |
| 266 | V | A | 1.9839 | |
| 267 | V | A | 2.0958 | |
| 268 | P | A | 0.5135 | |
| 269 | N | A | -0.3342 | |
| 270 | L | A | 0.3854 | |
| 271 | E | A | -1.0620 | |
| 272 | Y | A | -0.0192 | |
| 273 | N | A | -0.7095 | |
| 274 | C | A | 0.0229 | |
| 275 | G | A | 0.4910 | |
| 276 | Y | A | 1.0846 | |
| 277 | L | A | 1.0252 | |
| 278 | K | A | -1.3589 | |
| 279 | T | A | -1.9095 | |
| 280 | E | A | -3.2098 | |
| 281 | E | A | -3.5356 | |
| 282 | E | A | -2.7950 | |
| 283 | V | A | -0.7336 | |
| 284 | E | A | -1.7832 | |
| 285 | S | A | -1.2063 | |
| 286 | S | A | -1.1065 | |
| 287 | H | A | -1.0306 | |
| 288 | G | A | -0.3885 | |
| 289 | F | A | 0.5734 | |
| 290 | N | A | -1.2225 | |
| 291 | N | A | -1.6615 | |
| 292 | S | A | -1.7502 | |
| 293 | G | A | -1.5373 | |
| 294 | E | A | -1.3926 | |
| 295 | L | A | 0.3721 | |
| 296 | A | A | -0.4549 | |
| 297 | Q | A | -1.7751 | |
| 298 | K | A | -2.2995 | |
| 299 | G | A | -1.2115 | |
| 300 | Y | A | 0.8404 | |
| 301 | G | A | 0.4839 | |
| 302 | V | A | 0.8323 | |
| 303 | D | A | -0.6672 | |
| 304 | S | A | 0.0501 | |
| 305 | F | A | 1.4940 | |
| 306 | G | A | 1.1471 | |
| 307 | Y | A | 1.2850 | |
| 308 | S | A | -0.0491 | |
| 309 | G | A | -0.5054 | |
| 310 | Q | A | -0.6372 | |
| 311 | V | A | 0.7151 | |
| 312 | G | A | 0.2926 | |
| 313 | G | A | 0.5136 | |
| 314 | F | A | 1.8288 | |
| 315 | G | A | 1.5525 | |
| 316 | F | A | 2.6659 | |
| 317 | M | A | 1.8948 |
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