| Chain sequence(s) |
A: MDRSANTNIAVYWGQNSAGTQESLATYCESSDADIFLLSFLNQFPTLGLNFANACSDTFSDGLLHCTQIAEDIETCQSLGKKVLLSLGGASGSYLFSDDSQAETFAQTLWDTFGEGTGASERPFDSAVVDGFDFDIENNNEVGYSALATKLRTLFAEGTKQYYLSAAPQCPYPDASVGDLLENADIDFAFIQFYNNYCSVSGQFNWDTWLTYAQTVSPNKNIKLFLGLPGSASAAGSGYISDTSLLESTIADIASSSSFGGIALWDASQAFSNELNGEPYVEILKNLLTSASQTALE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:01)
[INFO] Main: Simulation completed successfully. (00:05:04)
|
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 | -0.9150 | |
| 2 | D | A | -2.0280 | |
| 3 | R | A | -1.3539 | |
| 4 | S | A | -1.1489 | |
| 5 | A | A | -0.8918 | |
| 6 | N | A | -0.7243 | |
| 7 | T | A | -0.7099 | |
| 8 | N | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | A | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | Y | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | Q | A | -0.8251 | |
| 16 | N | A | -1.0721 | |
| 17 | S | A | -0.4470 | |
| 18 | A | A | -0.4594 | |
| 19 | G | A | -0.9929 | |
| 20 | T | A | -0.8846 | |
| 21 | Q | A | -1.3124 | |
| 22 | E | A | -1.6586 | |
| 23 | S | A | -1.0856 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | -1.3160 | |
| 26 | T | A | -1.0044 | |
| 27 | Y | A | 0.0000 | |
| 28 | C | A | 0.0000 | |
| 29 | E | A | -1.7622 | |
| 30 | S | A | -1.0746 | |
| 31 | S | A | -0.8467 | |
| 32 | D | A | -1.0328 | |
| 33 | A | A | 0.0000 | |
| 34 | D | A | -0.5531 | |
| 35 | I | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | N | A | -0.8722 | |
| 43 | Q | A | -0.8237 | |
| 44 | F | A | 0.0000 | |
| 45 | P | A | -0.0650 | |
| 46 | T | A | -0.1846 | |
| 47 | L | A | -0.0499 | |
| 48 | G | A | -0.4925 | |
| 49 | L | A | 0.0000 | |
| 50 | N | A | -1.0820 | |
| 51 | F | A | 0.0000 | |
| 52 | A | A | -1.0348 | |
| 53 | N | A | -1.7196 | |
| 54 | A | A | -1.3974 | |
| 55 | C | A | -1.2273 | |
| 56 | S | A | -1.4345 | |
| 57 | D | A | -1.9411 | |
| 58 | T | A | -1.3985 | |
| 59 | F | A | -1.0679 | |
| 60 | S | A | -1.3347 | |
| 61 | D | A | -2.0506 | |
| 62 | G | A | -1.4857 | |
| 63 | L | A | -1.0076 | |
| 64 | L | A | -0.9747 | |
| 65 | H | A | -1.2502 | |
| 66 | C | A | 0.0000 | |
| 67 | T | A | -1.6374 | |
| 68 | Q | A | -1.9761 | |
| 69 | I | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | E | A | -2.9909 | |
| 72 | D | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -2.4777 | |
| 75 | T | A | -1.6059 | |
| 76 | C | A | 0.0000 | |
| 77 | Q | A | -0.8910 | |
| 78 | S | A | -0.5398 | |
| 79 | L | A | -0.1040 | |
| 80 | G | A | -0.5418 | |
| 81 | K | A | -0.9636 | |
| 82 | K | A | -0.6248 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | A | A | -0.6339 | |
| 91 | S | A | -0.8285 | |
| 92 | G | A | -1.0493 | |
| 93 | S | A | -0.5105 | |
| 94 | Y | A | 0.0000 | |
| 95 | L | A | 0.7677 | |
| 96 | F | A | 0.0000 | |
| 97 | S | A | -0.7107 | |
| 98 | D | A | -1.9246 | |
| 99 | D | A | -2.7077 | |
| 100 | S | A | -2.0513 | |
| 101 | Q | A | -1.7549 | |
| 102 | A | A | 0.0000 | |
| 103 | E | A | -2.2110 | |
| 104 | T | A | -1.3291 | |
| 105 | F | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | Q | A | -1.0176 | |
| 108 | T | A | -0.5737 | |
| 109 | L | A | 0.0000 | |
| 110 | W | A | 0.0000 | |
| 111 | D | A | -0.8098 | |
| 112 | T | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | E | A | -0.9474 | |
| 116 | G | A | -0.8412 | |
| 117 | T | A | -0.6166 | |
| 118 | G | A | -0.8778 | |
| 119 | A | A | -0.7627 | |
| 120 | S | A | -0.7549 | |
| 121 | E | A | -1.3344 | |
| 122 | R | A | -1.0368 | |
| 123 | P | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | D | A | -1.5508 | |
| 126 | S | A | -1.1125 | |
| 127 | A | A | 0.0000 | |
| 128 | V | A | -0.3957 | |
| 129 | V | A | 0.0000 | |
| 130 | D | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | D | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | E | A | -2.1332 | |
| 138 | N | A | -1.8818 | |
| 139 | N | A | -2.0555 | |
| 140 | N | A | -1.3924 | |
| 141 | E | A | -1.4223 | |
| 142 | V | A | -0.5420 | |
| 143 | G | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | S | A | -1.5150 | |
| 146 | A | A | -1.4479 | |
| 147 | L | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | T | A | -0.9820 | |
| 150 | K | A | -1.1036 | |
| 151 | L | A | 0.0000 | |
| 152 | R | A | -0.9641 | |
| 153 | T | A | -0.7980 | |
| 154 | L | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | A | A | -1.2214 | |
| 157 | E | A | -2.0643 | |
| 158 | G | A | -1.5288 | |
| 159 | T | A | -1.1109 | |
| 160 | K | A | -1.5005 | |
| 161 | Q | A | -1.5036 | |
| 162 | Y | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | Q | A | -0.5690 | |
| 170 | C | A | 0.0000 | |
| 171 | P | A | 0.1989 | |
| 172 | Y | A | 0.3825 | |
| 173 | P | A | -0.2683 | |
| 174 | D | A | 0.0000 | |
| 175 | A | A | -1.1298 | |
| 176 | S | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | G | A | -1.4968 | |
| 179 | D | A | -2.0661 | |
| 180 | L | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | E | A | -2.7365 | |
| 183 | N | A | -2.5035 | |
| 184 | A | A | 0.0000 | |
| 185 | D | A | -1.9047 | |
| 186 | I | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | N | A | -1.3982 | |
| 196 | N | A | -0.6108 | |
| 197 | Y | A | 0.4425 | |
| 198 | C | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | V | A | 0.0434 | |
| 201 | S | A | -0.2686 | |
| 202 | G | A | -0.6163 | |
| 203 | Q | A | -0.9089 | |
| 204 | F | A | -0.3762 | |
| 205 | N | A | -0.5522 | |
| 206 | W | A | 0.0000 | |
| 207 | D | A | -1.6531 | |
| 208 | T | A | -0.6912 | |
| 209 | W | A | 0.0000 | |
| 210 | L | A | -0.6287 | |
| 211 | T | A | -0.6781 | |
| 212 | Y | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | Q | A | -1.7052 | |
| 215 | T | A | -0.7747 | |
| 216 | V | A | -0.5327 | |
| 217 | S | A | 0.0000 | |
| 218 | P | A | -1.8376 | |
| 219 | N | A | -2.1965 | |
| 220 | K | A | -2.7855 | |
| 221 | N | A | -2.5370 | |
| 222 | I | A | 0.0000 | |
| 223 | K | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | P | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | A | A | -0.1435 | |
| 233 | S | A | -0.2937 | |
| 234 | A | A | -0.1292 | |
| 235 | A | A | -0.5851 | |
| 236 | G | A | -0.9941 | |
| 237 | S | A | -0.7929 | |
| 238 | G | A | -0.4416 | |
| 239 | Y | A | -0.3209 | |
| 240 | I | A | 0.0000 | |
| 241 | S | A | -1.0914 | |
| 242 | D | A | -1.9240 | |
| 243 | T | A | -1.3439 | |
| 244 | S | A | -1.2821 | |
| 245 | L | A | -0.9006 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -2.4238 | |
| 248 | S | A | -1.4472 | |
| 249 | T | A | -1.1065 | |
| 250 | I | A | 0.0000 | |
| 251 | A | A | -1.3881 | |
| 252 | D | A | -2.1231 | |
| 253 | I | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | S | A | -0.7282 | |
| 256 | S | A | -0.6527 | |
| 257 | S | A | -0.6488 | |
| 258 | S | A | -0.9063 | |
| 259 | F | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | W | A | 0.1709 | |
| 266 | D | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | Q | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | F | A | -0.6915 | |
| 272 | S | A | -0.8324 | |
| 273 | N | A | -1.3695 | |
| 274 | E | A | -2.9997 | |
| 275 | L | A | -2.3679 | |
| 276 | N | A | -2.3867 | |
| 277 | G | A | -2.5126 | |
| 278 | E | A | -3.1312 | |
| 279 | P | A | -2.1141 | |
| 280 | Y | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | E | A | -1.6814 | |
| 283 | I | A | -1.6041 | |
| 284 | L | A | 0.0000 | |
| 285 | K | A | -1.1379 | |
| 286 | N | A | -1.7590 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | T | A | -0.9386 | |
| 290 | S | A | -1.1476 | |
| 291 | A | A | -1.0381 | |
| 292 | S | A | -0.7294 | |
| 293 | Q | A | -1.1495 | |
| 294 | T | A | -0.7324 | |
| 295 | A | A | -0.2219 | |
| 296 | L | A | 0.2944 | |
| 297 | E | A | -1.3427 |
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