| Chain sequence(s) |
A: MIPVIRTPESNFDDLVGYPFKDNFISDLKGFEGIRFHYLDCGDPNAERTFLCLHGEPGHSYEWRTMIPVFTAAGYRVLAPDYPGFGRSDRPVNEEDYTFEFHRDWLIEFIDKLNLKNIVLVVQDWGGFIGLNLPMTDPSRFKDLIITNACLLVRPEVAPEFTAFRTEPEDGFPEWKRLIVEPENLDLAKFMQHMEPTLTPEEAANYQAPFPDPSYMAAVRKFPKMVENPDESQIETSLAAIDFWKNDWKGKVFLAVGEKDKLLGRHVMEPLRKIINGAPEPVYLPGAGHFVQRYGEEIARRALEWLEANE
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 (00:04:53)
[INFO] Main: Simulation completed successfully. (00:04:55)
|
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 | 1.0929 | |
| 2 | I | A | 0.9312 | |
| 3 | P | A | 0.5048 | |
| 4 | V | A | 0.5327 | |
| 5 | I | A | 0.0839 | |
| 6 | R | A | -1.1544 | |
| 7 | T | A | 0.0000 | |
| 8 | P | A | -1.3004 | |
| 9 | E | A | -1.7746 | |
| 10 | S | A | -1.7746 | |
| 11 | N | A | -1.8315 | |
| 12 | F | A | 0.0000 | |
| 13 | D | A | -2.8936 | |
| 14 | D | A | -2.6724 | |
| 15 | L | A | -1.1206 | |
| 16 | V | A | -0.1613 | |
| 17 | G | A | -0.2891 | |
| 18 | Y | A | -0.2275 | |
| 19 | P | A | -0.6768 | |
| 20 | F | A | -1.0641 | |
| 21 | K | A | -2.2265 | |
| 22 | D | A | -1.8510 | |
| 23 | N | A | -0.7971 | |
| 24 | F | A | 0.0728 | |
| 25 | I | A | 0.0000 | |
| 26 | S | A | -1.7117 | |
| 27 | D | A | -3.2644 | |
| 28 | L | A | 0.0000 | |
| 29 | K | A | -3.4681 | |
| 30 | G | A | -2.1903 | |
| 31 | F | A | -1.9356 | |
| 32 | E | A | -3.0901 | |
| 33 | G | A | -1.3422 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -0.9571 | |
| 36 | F | A | 0.0000 | |
| 37 | H | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | D | A | -1.2741 | |
| 41 | C | A | -1.1686 | |
| 42 | G | A | -1.6085 | |
| 43 | D | A | -2.5661 | |
| 44 | P | A | -2.0467 | |
| 45 | N | A | -2.6118 | |
| 46 | A | A | -2.4671 | |
| 47 | E | A | -2.8039 | |
| 48 | R | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | C | 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 | H | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | E | A | 0.0000 | |
| 63 | W | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | T | A | -0.7041 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | P | A | -0.3476 | |
| 69 | V | A | -0.7998 | |
| 70 | F | A | 0.0000 | |
| 71 | T | A | -0.5534 | |
| 72 | A | A | -0.2617 | |
| 73 | A | A | -0.4958 | |
| 74 | G | A | -1.1950 | |
| 75 | Y | A | 0.0000 | |
| 76 | R | A | -1.6062 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | R | A | -0.7888 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | 0.0000 | |
| 90 | R | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | -0.2184 | |
| 93 | N | A | -1.4739 | |
| 94 | E | A | -1.9496 | |
| 95 | E | A | -2.4825 | |
| 96 | D | A | -1.5407 | |
| 97 | Y | A | 0.0000 | |
| 98 | T | A | -1.0557 | |
| 99 | F | A | 0.0000 | |
| 100 | E | A | -1.2324 | |
| 101 | F | A | -0.6518 | |
| 102 | H | A | 0.0000 | |
| 103 | R | A | -0.8146 | |
| 104 | D | A | -1.2103 | |
| 105 | W | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | -1.0274 | |
| 108 | E | A | -2.1879 | |
| 109 | F | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -3.4806 | |
| 112 | K | A | -3.3652 | |
| 113 | L | A | -1.9491 | |
| 114 | N | A | -2.7619 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.5869 | |
| 117 | N | A | -2.1106 | |
| 118 | I | A | 0.0000 | |
| 119 | V | 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 | I | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | N | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | M | A | -0.5473 | |
| 136 | T | A | -0.2531 | |
| 137 | D | A | -0.8985 | |
| 138 | P | A | -1.1575 | |
| 139 | S | A | -1.0240 | |
| 140 | R | A | -1.7268 | |
| 141 | F | A | 0.0000 | |
| 142 | K | A | -2.0080 | |
| 143 | D | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | 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 | R | A | -1.8502 | |
| 155 | P | A | -1.2658 | |
| 156 | E | A | -1.6027 | |
| 157 | V | A | 0.3018 | |
| 158 | A | A | 0.0000 | |
| 159 | P | A | -0.8354 | |
| 160 | E | A | -0.9023 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -1.0212 | |
| 163 | A | A | -1.0024 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -1.7837 | |
| 166 | T | A | -2.0669 | |
| 167 | E | A | -3.2830 | |
| 168 | P | A | -3.1728 | |
| 169 | E | A | -3.7939 | |
| 170 | D | A | -3.5387 | |
| 171 | G | A | 0.0000 | |
| 172 | F | A | 0.0000 | |
| 173 | P | A | -2.1834 | |
| 174 | E | A | -2.1150 | |
| 175 | W | A | 0.0000 | |
| 176 | K | A | -1.3087 | |
| 177 | R | A | -1.3052 | |
| 178 | L | A | -0.5980 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | -1.4891 | |
| 181 | E | A | -2.4842 | |
| 182 | P | A | -2.2568 | |
| 183 | E | A | -2.9146 | |
| 184 | N | A | -2.6997 | |
| 185 | L | A | -1.8900 | |
| 186 | D | A | -1.7020 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -1.6104 | |
| 189 | K | A | -2.3358 | |
| 190 | F | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | -1.6012 | |
| 193 | H | A | -1.6232 | |
| 194 | M | A | -0.7110 | |
| 195 | E | A | 0.0000 | |
| 196 | P | A | -0.8985 | |
| 197 | T | A | -0.5309 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | -0.7996 | |
| 200 | P | A | -1.4885 | |
| 201 | E | A | -1.9085 | |
| 202 | E | A | -0.9754 | |
| 203 | A | A | 0.0000 | |
| 204 | A | A | -1.0683 | |
| 205 | N | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | Q | A | -0.9141 | |
| 208 | A | A | -0.9597 | |
| 209 | P | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.8499 | |
| 212 | D | A | -1.5232 | |
| 213 | P | A | -1.3686 | |
| 214 | S | A | -0.5923 | |
| 215 | Y | A | -0.3285 | |
| 216 | M | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | R | A | -0.9130 | |
| 221 | K | A | -1.2643 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -1.6494 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -1.9960 | |
| 228 | N | A | -2.3787 | |
| 229 | P | A | -1.9157 | |
| 230 | D | A | -2.4228 | |
| 231 | E | A | -2.9645 | |
| 232 | S | A | -1.8684 | |
| 233 | Q | A | 0.0000 | |
| 234 | I | A | -1.7356 | |
| 235 | E | A | -2.3875 | |
| 236 | T | A | -1.0374 | |
| 237 | S | A | 0.0000 | |
| 238 | L | A | -0.4952 | |
| 239 | A | A | -0.8842 | |
| 240 | A | A | 0.0000 | |
| 241 | I | A | -1.1011 | |
| 242 | D | A | -2.9351 | |
| 243 | F | A | 0.0000 | |
| 244 | W | A | 0.0000 | |
| 245 | K | A | -4.1889 | |
| 246 | N | A | -3.9114 | |
| 247 | D | A | -3.7805 | |
| 248 | W | A | 0.0000 | |
| 249 | K | A | -3.1580 | |
| 250 | G | A | -1.8975 | |
| 251 | K | A | -1.3300 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | E | A | -2.1943 | |
| 259 | K | A | -2.7208 | |
| 260 | D | A | 0.0000 | |
| 261 | K | A | -3.1618 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | R | A | -2.2534 | |
| 266 | H | A | -2.0057 | |
| 267 | V | A | 0.0000 | |
| 268 | M | A | 0.0000 | |
| 269 | E | A | -1.7940 | |
| 270 | P | A | -1.3189 | |
| 271 | L | A | 0.0000 | |
| 272 | R | A | -2.1349 | |
| 273 | K | A | -2.5759 | |
| 274 | I | A | -2.0180 | |
| 275 | I | A | 0.0000 | |
| 276 | N | A | -3.4052 | |
| 277 | G | A | -2.0977 | |
| 278 | A | A | -1.6652 | |
| 279 | P | A | -1.4793 | |
| 280 | E | A | -2.0524 | |
| 281 | P | A | 0.0000 | |
| 282 | V | A | -0.0086 | |
| 283 | Y | A | -0.1100 | |
| 284 | L | A | 0.0000 | |
| 285 | P | A | -0.9748 | |
| 286 | G | A | -1.1085 | |
| 287 | A | A | 0.0000 | |
| 288 | G | A | -1.3681 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Q | A | 0.0000 | |
| 293 | R | A | -0.7807 | |
| 294 | Y | A | -0.5842 | |
| 295 | G | A | 0.0000 | |
| 296 | E | A | -2.5795 | |
| 297 | E | A | -2.4196 | |
| 298 | I | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | R | A | -3.2396 | |
| 301 | R | A | -2.6400 | |
| 302 | A | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -2.6846 | |
| 305 | W | A | -1.2854 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -2.3044 | |
| 308 | A | A | -1.9292 | |
| 309 | N | A | -2.4922 | |
| 310 | E | A | -2.7065 |
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