| Chain sequence(s) |
A: MIVEGEDAETGLSPWQVMLFRKSPEELLCGASLISDRWVLTAAHCLLYPPWDKDFTVDDLLVRIGKHSRTEYEEKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNKKETWTTSVAEVQPSVLQVVNLPLVERPVCKASTEIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNDKWYQMGIVSWGEGCDRDGKYGFYTHVYKLKKWIQKVIDRLGGGGSGGGGSCGLRPLFEKKETEDETEKELFESYTEGRLE
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:23)
[INFO] Main: Simulation completed successfully. (00:12:26)
|
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 | 0.0000 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | -2.0509 | |
| 4 | E | A | -3.0808 | |
| 5 | G | A | -2.4031 | |
| 6 | E | A | -3.2260 | |
| 7 | D | A | -2.9103 | |
| 8 | A | A | 0.0000 | |
| 9 | E | A | -1.9197 | |
| 10 | T | A | -0.8120 | |
| 11 | G | A | -0.4314 | |
| 12 | L | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | P | A | 0.0000 | |
| 15 | W | A | 0.0000 | |
| 16 | Q | A | 0.0000 | |
| 17 | V | A | 0.0000 | |
| 18 | M | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | F | A | 0.0000 | |
| 21 | R | A | -2.5698 | |
| 22 | K | A | -2.4893 | |
| 23 | S | A | -2.1580 | |
| 24 | P | A | -2.1073 | |
| 25 | E | A | -3.2706 | |
| 26 | E | A | -2.7932 | |
| 27 | L | A | -1.1383 | |
| 28 | L | A | -0.6357 | |
| 29 | C | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | D | A | -1.4886 | |
| 37 | R | A | -1.7207 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | H | A | 0.0000 | |
| 45 | C | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | -0.4199 | |
| 48 | Y | A | -0.5484 | |
| 49 | P | A | -1.0092 | |
| 50 | P | A | -0.4209 | |
| 51 | W | A | -0.0474 | |
| 52 | D | A | -1.7557 | |
| 53 | K | A | -1.4107 | |
| 54 | D | A | -2.0031 | |
| 55 | F | A | -1.2467 | |
| 56 | T | A | -1.0587 | |
| 57 | V | A | -1.1159 | |
| 58 | D | A | -2.2488 | |
| 59 | D | A | -2.2429 | |
| 60 | L | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | R | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | K | A | 0.0000 | |
| 67 | H | A | -0.6124 | |
| 68 | S | A | -0.5805 | |
| 69 | R | A | -0.6533 | |
| 70 | T | A | -0.8229 | |
| 71 | E | A | -1.6283 | |
| 72 | Y | A | -0.5284 | |
| 73 | E | A | -1.5039 | |
| 74 | E | A | -2.6016 | |
| 75 | K | A | -2.3863 | |
| 76 | V | A | -1.0773 | |
| 77 | E | A | 0.0000 | |
| 78 | K | A | -1.5101 | |
| 79 | I | A | 0.1810 | |
| 80 | S | A | 0.0000 | |
| 81 | M | A | -0.5805 | |
| 82 | L | A | 0.0000 | |
| 83 | D | A | -1.7262 | |
| 84 | K | A | -1.5176 | |
| 85 | I | A | -0.0338 | |
| 86 | Y | A | 0.2853 | |
| 87 | I | A | 0.3643 | |
| 88 | H | A | -0.5235 | |
| 89 | P | A | -1.0714 | |
| 90 | R | A | -2.0097 | |
| 91 | Y | A | 0.0000 | |
| 92 | N | A | -1.6958 | |
| 93 | W | A | -1.3200 | |
| 94 | K | A | -2.5119 | |
| 95 | E | A | -2.7910 | |
| 96 | N | A | 0.0000 | |
| 97 | L | A | -0.9762 | |
| 98 | D | A | 0.0000 | |
| 99 | R | A | -1.0580 | |
| 100 | D | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | K | A | -2.0030 | |
| 108 | R | A | -2.6852 | |
| 109 | P | A | -1.9917 | |
| 110 | I | A | 0.0000 | |
| 111 | E | A | -2.1694 | |
| 112 | L | A | -0.8388 | |
| 113 | S | A | -0.6225 | |
| 114 | D | A | -0.9718 | |
| 115 | Y | A | -0.0280 | |
| 116 | I | A | 0.0000 | |
| 117 | H | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | C | A | 0.0000 | |
| 121 | L | A | -0.1202 | |
| 122 | P | A | 0.0000 | |
| 123 | D | A | -2.3679 | |
| 124 | K | A | -2.9821 | |
| 125 | Q | A | -2.5080 | |
| 126 | T | A | -1.3906 | |
| 127 | A | A | 0.0000 | |
| 128 | A | A | -1.2443 | |
| 129 | K | A | -0.9816 | |
| 130 | L | A | 0.0000 | |
| 131 | L | A | -0.2342 | |
| 132 | H | A | -1.0067 | |
| 133 | A | A | -1.1254 | |
| 134 | G | A | -1.3567 | |
| 135 | F | A | 0.0000 | |
| 136 | K | A | -0.6586 | |
| 137 | G | A | 0.0000 | |
| 138 | R | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | T | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | W | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | N | A | -1.7466 | |
| 145 | K | A | -2.5805 | |
| 146 | K | A | -3.1941 | |
| 147 | E | A | -2.9152 | |
| 148 | T | A | -1.0678 | |
| 149 | W | A | 0.5552 | |
| 150 | T | A | 0.0857 | |
| 151 | T | A | 0.4043 | |
| 152 | S | A | 0.3118 | |
| 153 | V | A | 1.0539 | |
| 154 | A | A | -0.1555 | |
| 155 | E | A | -1.7014 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | -0.8078 | |
| 158 | P | A | 0.0000 | |
| 159 | S | A | -0.7779 | |
| 160 | V | A | -1.0284 | |
| 161 | L | A | 0.0000 | |
| 162 | Q | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | P | A | -0.3739 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | E | A | -1.1359 | |
| 171 | R | A | -1.4769 | |
| 172 | P | A | -0.9048 | |
| 173 | V | A | -0.5223 | |
| 174 | C | A | 0.0000 | |
| 175 | K | A | -1.8267 | |
| 176 | A | A | -0.8299 | |
| 177 | S | A | -1.0078 | |
| 178 | T | A | -1.4949 | |
| 179 | E | A | -2.1823 | |
| 180 | I | A | -1.6785 | |
| 181 | R | A | -2.4926 | |
| 182 | I | A | 0.0000 | |
| 183 | T | A | -1.4683 | |
| 184 | D | A | -2.1514 | |
| 185 | N | A | -1.3034 | |
| 186 | M | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | Y | A | -2.0182 | |
| 192 | K | A | -2.2958 | |
| 193 | P | A | -2.5475 | |
| 194 | G | A | -2.1814 | |
| 195 | E | A | -2.6962 | |
| 196 | G | A | -2.4734 | |
| 197 | K | A | -3.4343 | |
| 198 | R | A | -3.6444 | |
| 199 | G | A | 0.0000 | |
| 200 | D | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | C | A | -1.5234 | |
| 203 | E | A | -2.3933 | |
| 204 | G | A | -0.9671 | |
| 205 | D | A | 0.0000 | |
| 206 | S | A | -0.4171 | |
| 207 | G | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | K | A | 0.0000 | |
| 214 | S | A | 0.0000 | |
| 215 | P | A | -0.1809 | |
| 216 | Y | A | 0.3612 | |
| 217 | N | A | -0.8638 | |
| 218 | D | A | -1.5904 | |
| 219 | K | A | -0.9537 | |
| 220 | W | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | Q | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | W | A | -0.3126 | |
| 229 | G | A | -1.0566 | |
| 230 | E | A | -1.1183 | |
| 231 | G | A | -1.8852 | |
| 232 | C | A | -2.2548 | |
| 233 | D | A | -2.8497 | |
| 234 | R | A | -3.7089 | |
| 235 | D | A | -3.4711 | |
| 236 | G | A | -2.1001 | |
| 237 | K | A | -2.2279 | |
| 238 | Y | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | H | A | -0.7035 | |
| 244 | V | A | 0.0000 | |
| 245 | Y | A | -1.0787 | |
| 246 | K | A | -1.8169 | |
| 247 | L | A | 0.0000 | |
| 248 | K | A | -2.0637 | |
| 249 | K | A | -2.6538 | |
| 250 | W | A | -1.9592 | |
| 251 | I | A | 0.0000 | |
| 252 | Q | A | -3.0276 | |
| 253 | K | A | -3.4993 | |
| 254 | V | A | 0.0000 | |
| 255 | I | A | -2.1539 | |
| 256 | D | A | -3.4465 | |
| 257 | R | A | -3.1235 | |
| 258 | L | A | -1.3100 | |
| 259 | G | A | -1.4504 | |
| 260 | G | A | -1.3823 | |
| 261 | G | A | -1.7192 | |
| 262 | G | A | -1.0528 | |
| 263 | S | A | -0.9309 | |
| 264 | G | A | -0.9627 | |
| 265 | G | A | -1.1375 | |
| 266 | G | A | -1.0949 | |
| 267 | G | A | -0.9067 | |
| 268 | S | A | -0.7116 | |
| 269 | C | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | L | A | -0.7449 | |
| 272 | R | A | 0.0000 | |
| 273 | P | A | 0.0000 | |
| 274 | L | A | -1.2529 | |
| 275 | F | A | 0.0000 | |
| 276 | E | A | -2.5597 | |
| 277 | K | A | -2.6381 | |
| 278 | K | A | -3.3324 | |
| 279 | E | A | -3.4520 | |
| 280 | T | A | -2.7498 | |
| 281 | E | A | -3.0491 | |
| 282 | D | A | 0.0000 | |
| 283 | E | A | -2.6949 | |
| 284 | T | A | -1.9519 | |
| 285 | E | A | 0.0000 | |
| 286 | K | A | -2.2565 | |
| 287 | E | A | -2.0953 | |
| 288 | L | A | 0.0000 | |
| 289 | F | A | -1.2418 | |
| 290 | E | A | -2.6496 | |
| 291 | S | A | 0.0000 | |
| 292 | Y | A | 0.0000 | |
| 293 | T | A | -1.9088 | |
| 294 | E | A | -2.8028 | |
| 295 | G | A | -2.4101 | |
| 296 | R | A | -2.4242 | |
| 297 | L | A | -0.8255 | |
| 298 | E | A | -2.0720 |
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