| Chain sequence(s) |
A: KIPAIRTPESNFDGLVGDPFKDNYISDLPGFEGLRIHYWDEGPADAERTVLMLHGEPGSAYEWRDMIPVFTAAGYRVIAPDFLGFGRSDRPVNEEDYTFEYHLDQLIAFIDRLDLRNIILVVQDWGGFLGLCLPMRHPERFVDLIVTNACLLVPEEVAPEFTAFRTEPPDGFPWWKKQIVEPANLDLAAFMQEMAPTLTPERAANYQAPFPDPSYMAAVRKFPKMVENPDEYTIKTSLEAIKFWRDDWKGRVFMAVGVKDKLLGEHVMEPLRKIINGAPEPLRLEGAGHFVQEYGEEVARRALEWLEAAA
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 (00:04:39)
[INFO] Main: Simulation completed successfully. (00:04:41)
|
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 | K | A | -1.7008 | |
| 2 | I | A | -0.4094 | |
| 3 | P | A | -0.2582 | |
| 4 | A | A | -0.1451 | |
| 5 | I | A | 0.0063 | |
| 6 | R | A | -1.1882 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.2960 | |
| 9 | E | A | -2.1735 | |
| 10 | S | A | -1.7746 | |
| 11 | N | A | -1.7278 | |
| 12 | F | A | 0.0000 | |
| 13 | D | A | -2.4111 | |
| 14 | G | A | -1.3640 | |
| 15 | L | A | -1.0116 | |
| 16 | V | A | -0.5783 | |
| 17 | G | A | -0.7985 | |
| 18 | D | A | -1.0830 | |
| 19 | P | A | -0.8158 | |
| 20 | F | A | -1.2273 | |
| 21 | K | A | -2.1671 | |
| 22 | D | A | -1.4340 | |
| 23 | N | A | -0.6322 | |
| 24 | Y | A | 0.0798 | |
| 25 | I | A | 0.0000 | |
| 26 | S | A | -1.5286 | |
| 27 | D | A | -2.7808 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | -1.8858 | |
| 30 | G | A | -1.5010 | |
| 31 | F | A | 0.0000 | |
| 32 | E | A | -2.8166 | |
| 33 | G | A | -1.9887 | |
| 34 | L | A | -1.2452 | |
| 35 | R | A | -0.8523 | |
| 36 | I | A | 0.0000 | |
| 37 | H | A | 0.0000 | |
| 38 | Y | A | -0.3075 | |
| 39 | W | A | 0.0000 | |
| 40 | D | A | -1.2101 | |
| 41 | E | A | -1.2136 | |
| 42 | G | A | -1.0618 | |
| 43 | P | A | -1.3813 | |
| 44 | A | A | -1.4614 | |
| 45 | D | A | -2.4104 | |
| 46 | A | A | -2.1444 | |
| 47 | E | A | -2.8184 | |
| 48 | R | A | -2.0064 | |
| 49 | T | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | H | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | E | A | 0.0000 | |
| 57 | P | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | E | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | D | A | -2.3167 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -0.7033 | |
| 69 | V | A | -0.9522 | |
| 70 | F | A | 0.0000 | |
| 71 | T | A | -0.3559 | |
| 72 | A | A | -0.1333 | |
| 73 | A | A | -0.2167 | |
| 74 | G | A | -0.8836 | |
| 75 | Y | A | 0.0000 | |
| 76 | R | A | -1.3470 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | R | A | 0.0000 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.1703 | |
| 93 | N | A | -1.2457 | |
| 94 | E | A | -1.8668 | |
| 95 | E | A | -2.3967 | |
| 96 | D | A | -1.4314 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -1.1896 | |
| 99 | F | A | 0.0000 | |
| 100 | E | A | -1.6370 | |
| 101 | Y | A | -1.0306 | |
| 102 | H | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -1.7140 | |
| 105 | Q | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | -1.0600 | |
| 108 | A | A | -1.4063 | |
| 109 | F | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -2.8548 | |
| 112 | R | A | -2.4853 | |
| 113 | L | A | -1.7195 | |
| 114 | D | A | -2.7567 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -2.6910 | |
| 117 | N | A | -2.0091 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | Q | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | W | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | M | A | -1.6674 | |
| 136 | R | A | -1.9483 | |
| 137 | H | A | -1.8006 | |
| 138 | P | A | -2.0331 | |
| 139 | E | A | -2.4432 | |
| 140 | R | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | V | A | -0.7494 | |
| 143 | D | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | N | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | P | A | -1.4245 | |
| 155 | E | A | -2.7038 | |
| 156 | E | A | -2.4380 | |
| 157 | V | A | -0.6768 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | -1.7363 | |
| 160 | E | A | -1.7928 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -1.4645 | |
| 163 | A | A | -1.3879 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -1.3678 | |
| 166 | T | A | -1.5204 | |
| 167 | E | A | -2.6952 | |
| 168 | P | A | -2.2706 | |
| 169 | P | A | -1.9745 | |
| 170 | D | A | -2.4982 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -1.6118 | |
| 174 | W | A | -1.5401 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | -1.8370 | |
| 177 | K | A | -2.5466 | |
| 178 | Q | A | -2.0246 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | -1.8273 | |
| 181 | E | A | -2.6587 | |
| 182 | P | A | -1.9895 | |
| 183 | A | A | -1.2159 | |
| 184 | N | A | -2.1857 | |
| 185 | L | A | 0.0000 | |
| 186 | D | A | -2.3330 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -1.3991 | |
| 189 | A | A | -1.1931 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.6561 | |
| 193 | E | A | -2.0201 | |
| 194 | M | A | -0.9811 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.9237 | |
| 197 | T | A | -0.5848 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -1.0406 | |
| 200 | P | A | -1.4637 | |
| 201 | E | A | -2.1759 | |
| 202 | R | A | -1.6455 | |
| 203 | A | A | 0.0000 | |
| 204 | A | A | -1.2602 | |
| 205 | N | A | -1.1846 | |
| 206 | Y | A | 0.0000 | |
| 207 | Q | A | -1.0477 | |
| 208 | A | A | -0.9258 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.8708 | |
| 212 | D | A | -1.6900 | |
| 213 | P | A | -1.2294 | |
| 214 | S | A | -0.5409 | |
| 215 | Y | A | -0.3165 | |
| 216 | M | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -1.2062 | |
| 221 | K | A | -1.2932 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.7319 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -2.0025 | |
| 228 | N | A | -2.4024 | |
| 229 | P | A | -1.7228 | |
| 230 | D | A | -2.4285 | |
| 231 | E | A | -2.5824 | |
| 232 | Y | A | -1.5671 | |
| 233 | T | A | 0.0000 | |
| 234 | I | A | -1.2812 | |
| 235 | K | A | -2.3158 | |
| 236 | T | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | L | A | -1.1255 | |
| 239 | E | A | -2.5423 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | -1.6868 | |
| 242 | K | A | -3.3596 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | R | A | -3.9801 | |
| 246 | D | A | -4.1816 | |
| 247 | D | A | -3.9002 | |
| 248 | W | A | 0.0000 | |
| 249 | K | A | -2.9217 | |
| 250 | G | A | -1.4601 | |
| 251 | R | A | -0.9597 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | -0.3979 | |
| 254 | M | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | V | A | -1.9380 | |
| 259 | K | A | -2.6789 | |
| 260 | D | A | 0.0000 | |
| 261 | K | A | -2.7639 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | E | A | -1.5243 | |
| 266 | H | A | -1.2704 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | E | A | -1.8259 | |
| 270 | P | A | -1.4083 | |
| 271 | L | A | 0.0000 | |
| 272 | R | A | -2.2448 | |
| 273 | K | A | -2.7075 | |
| 274 | I | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -3.1668 | |
| 277 | G | A | -2.0138 | |
| 278 | A | A | -1.6406 | |
| 279 | P | A | -1.5272 | |
| 280 | E | A | -2.3464 | |
| 281 | P | A | -1.3353 | |
| 282 | L | A | -1.1309 | |
| 283 | R | A | -2.0089 | |
| 284 | L | A | 0.0000 | |
| 285 | E | A | -2.6260 | |
| 286 | G | A | -1.7774 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.3593 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | E | A | -0.7466 | |
| 294 | Y | A | -0.6775 | |
| 295 | G | A | -1.7387 | |
| 296 | E | A | -3.0968 | |
| 297 | E | A | -3.2443 | |
| 298 | V | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -3.5697 | |
| 301 | R | A | -3.3785 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | -2.1154 | |
| 304 | E | A | -2.9629 | |
| 305 | W | A | -1.5839 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.6132 | |
| 308 | A | A | -0.8900 | |
| 309 | A | A | -0.5206 | |
| 310 | A | A | -0.2904 |
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