| Chain sequence(s) |
A: ASLDQTPRTATRETGESLSINCVLTDTSHILFGTKWFWNNPGSTDWESITIGGRYVESVNNQAKSFSLQIKDLTVEDSGTYYCKAQTIGRRKRGPLASLAAMMGSSDYYGAGTVLTVNGSSGGGGSGGGGGGSSRSSASLDQTLRTATRETGESLTVNCVLVDAIYGLYSTSWYRNNPGSTDREHITIGGRYVESVNKGAKSFSLQIKDMTFEDSGTYYCKARATSGYTPHDGSGTVLTVNETVESCLAKPHTENSFTNVWKDDKTLDRYANYEGCLWNATGVVVCTGDETQCYGTWVPIGLAIPENE
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:13)
[INFO] Main: Simulation completed successfully. (00:03:15)
|
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 | A | A | -0.5135 | |
| 2 | S | A | -0.4931 | |
| 3 | L | A | 0.0000 | |
| 4 | D | A | -1.7394 | |
| 5 | Q | A | 0.0000 | |
| 6 | T | A | -1.1803 | |
| 7 | P | A | -1.1184 | |
| 8 | R | A | -1.8410 | |
| 9 | T | A | -0.5759 | |
| 10 | A | A | 0.0000 | |
| 11 | T | A | -0.6858 | |
| 12 | R | A | -1.6234 | |
| 13 | E | A | -2.2715 | |
| 14 | T | A | -2.0417 | |
| 15 | G | A | -2.3701 | |
| 16 | E | A | -2.6364 | |
| 17 | S | A | -2.1022 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -0.6299 | |
| 20 | I | A | 0.0000 | |
| 21 | N | A | -0.8164 | |
| 22 | C | A | 0.0000 | |
| 23 | V | A | -0.4369 | |
| 24 | L | A | 0.0000 | |
| 25 | T | A | -0.5847 | |
| 26 | D | A | -0.2812 | |
| 27 | T | A | -0.3404 | |
| 28 | S | A | -0.9660 | |
| 29 | H | A | -0.3188 | |
| 30 | I | A | 0.6981 | |
| 31 | L | A | 0.0000 | |
| 32 | F | A | 1.4562 | |
| 33 | G | A | 0.2207 | |
| 34 | T | A | -0.5431 | |
| 35 | K | A | -1.3679 | |
| 36 | W | A | 0.0000 | |
| 37 | F | A | -0.5196 | |
| 38 | W | A | -0.6196 | |
| 39 | N | A | 0.0000 | |
| 40 | N | A | -2.1520 | |
| 41 | P | A | -0.9769 | |
| 42 | G | A | -1.2209 | |
| 43 | S | A | -1.3005 | |
| 44 | T | A | -1.3662 | |
| 45 | D | A | -2.2680 | |
| 46 | W | A | -1.3031 | |
| 47 | E | A | -2.0541 | |
| 48 | S | A | -1.0807 | |
| 49 | I | A | -0.2464 | |
| 50 | T | A | -0.0563 | |
| 51 | I | A | 0.4190 | |
| 52 | G | A | -0.3002 | |
| 53 | G | A | -0.7253 | |
| 54 | R | A | -1.1892 | |
| 55 | Y | A | -0.3336 | |
| 56 | V | A | 0.0924 | |
| 57 | E | A | -0.0451 | |
| 58 | S | A | -0.0462 | |
| 59 | V | A | -0.0446 | |
| 60 | N | A | -1.5661 | |
| 61 | N | A | -1.7232 | |
| 62 | Q | A | -1.9173 | |
| 63 | A | A | -1.1853 | |
| 64 | K | A | -0.7709 | |
| 65 | S | A | -0.7995 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.1971 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.8950 | |
| 70 | I | A | 0.0000 | |
| 71 | K | A | -2.3354 | |
| 72 | D | A | -3.0655 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -1.4310 | |
| 75 | V | A | -0.6794 | |
| 76 | E | A | -1.7953 | |
| 77 | D | A | 0.0000 | |
| 78 | S | A | -0.6313 | |
| 79 | G | A | 0.0000 | |
| 80 | T | A | -0.0011 | |
| 81 | Y | A | 0.0000 | |
| 82 | Y | A | 0.3138 | |
| 83 | C | A | 0.0000 | |
| 84 | K | A | -0.4300 | |
| 85 | A | A | 0.0000 | |
| 86 | Q | A | -0.2205 | |
| 87 | T | A | 0.0000 | |
| 88 | I | A | 0.0445 | |
| 89 | G | A | -1.4013 | |
| 90 | R | A | -3.0988 | |
| 91 | R | A | -3.8809 | |
| 92 | K | A | -3.9940 | |
| 93 | R | A | -3.2472 | |
| 94 | G | A | -1.3891 | |
| 95 | P | A | -0.2449 | |
| 96 | L | A | 1.2919 | |
| 97 | A | A | 0.3701 | |
| 98 | S | A | 1.0787 | |
| 99 | L | A | 1.9260 | |
| 100 | A | A | 0.9719 | |
| 101 | A | A | 0.6040 | |
| 102 | M | A | -0.1292 | |
| 103 | M | A | 0.5391 | |
| 104 | G | A | -0.3935 | |
| 105 | S | A | -0.0749 | |
| 106 | S | A | -0.5030 | |
| 107 | D | A | -1.0236 | |
| 108 | Y | A | -0.1660 | |
| 109 | Y | A | 0.4392 | |
| 110 | G | A | 0.0000 | |
| 111 | A | A | -0.2869 | |
| 112 | G | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | V | A | 0.4223 | |
| 115 | L | A | 0.0000 | |
| 116 | T | A | -0.4197 | |
| 117 | V | A | 0.0000 | |
| 118 | N | A | -1.4567 | |
| 119 | G | A | -1.4509 | |
| 120 | S | A | -1.0165 | |
| 121 | S | A | -0.9167 | |
| 122 | G | A | -1.0648 | |
| 123 | G | A | -1.0923 | |
| 124 | G | A | -1.2244 | |
| 125 | G | A | -1.1596 | |
| 126 | S | A | -1.1447 | |
| 127 | G | A | -0.9950 | |
| 128 | G | A | -1.0809 | |
| 129 | G | A | -1.1339 | |
| 130 | G | A | -1.1337 | |
| 131 | G | A | -1.0822 | |
| 132 | G | A | -1.1444 | |
| 133 | S | A | -1.1412 | |
| 134 | S | A | -1.4054 | |
| 135 | R | A | -2.2087 | |
| 136 | S | A | -1.3610 | |
| 137 | S | A | -1.0304 | |
| 138 | A | A | -0.8472 | |
| 139 | S | A | -1.3285 | |
| 140 | L | A | 0.0000 | |
| 141 | D | A | -1.7429 | |
| 142 | Q | A | 0.0000 | |
| 143 | T | A | -0.9251 | |
| 144 | L | A | -0.7163 | |
| 145 | R | A | -1.4706 | |
| 146 | T | A | -0.5608 | |
| 147 | A | A | 0.0000 | |
| 148 | T | A | -0.8176 | |
| 149 | R | A | -1.8561 | |
| 150 | E | A | -2.5900 | |
| 151 | T | A | -2.3160 | |
| 152 | G | A | -2.6226 | |
| 153 | E | A | -2.6733 | |
| 154 | S | A | -2.0608 | |
| 155 | L | A | 0.0000 | |
| 156 | T | A | -0.3615 | |
| 157 | V | A | 0.0000 | |
| 158 | N | A | -0.5944 | |
| 159 | C | A | 0.0000 | |
| 160 | V | A | -0.7602 | |
| 161 | L | A | 0.0000 | |
| 162 | V | A | -0.6157 | |
| 163 | D | A | -1.2195 | |
| 164 | A | A | 0.0000 | |
| 165 | I | A | 1.7884 | |
| 166 | Y | A | 1.1935 | |
| 167 | G | A | 0.0858 | |
| 168 | L | A | 0.0000 | |
| 169 | Y | A | 0.7043 | |
| 170 | S | A | -0.0279 | |
| 171 | T | A | -0.1399 | |
| 172 | S | A | -0.6192 | |
| 173 | W | A | 0.0000 | |
| 174 | Y | A | -1.8366 | |
| 175 | R | A | -1.9813 | |
| 176 | N | A | 0.0000 | |
| 177 | N | A | -2.4392 | |
| 178 | P | A | -1.3374 | |
| 179 | G | A | -1.1361 | |
| 180 | S | A | -1.6473 | |
| 181 | T | A | -2.0192 | |
| 182 | D | A | -3.6129 | |
| 183 | R | A | -4.0054 | |
| 184 | E | A | -3.8252 | |
| 185 | H | A | -2.3473 | |
| 186 | I | A | 0.0000 | |
| 187 | T | A | -0.1021 | |
| 188 | I | A | 0.7143 | |
| 189 | G | A | -0.1071 | |
| 190 | G | A | -0.6951 | |
| 191 | R | A | -1.4150 | |
| 192 | Y | A | -0.3728 | |
| 193 | V | A | 0.1761 | |
| 194 | E | A | 0.0653 | |
| 195 | S | A | -0.3861 | |
| 196 | V | A | -0.5281 | |
| 197 | N | A | -1.9002 | |
| 198 | K | A | -2.3028 | |
| 199 | G | A | -1.7022 | |
| 200 | A | A | -1.1232 | |
| 201 | K | A | -1.0531 | |
| 202 | S | A | -1.0647 | |
| 203 | F | A | 0.0000 | |
| 204 | S | A | -0.3125 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -0.6961 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -2.3294 | |
| 209 | D | A | -3.1125 | |
| 210 | M | A | 0.0000 | |
| 211 | T | A | -1.6953 | |
| 212 | F | A | -1.3662 | |
| 213 | E | A | -2.1124 | |
| 214 | D | A | 0.0000 | |
| 215 | S | A | -0.9015 | |
| 216 | G | A | 0.0000 | |
| 217 | T | A | -0.4071 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | -0.8368 | |
| 220 | C | A | 0.0000 | |
| 221 | K | A | -1.5751 | |
| 222 | A | A | 0.0000 | |
| 223 | R | A | -0.7472 | |
| 224 | A | A | 0.0000 | |
| 225 | T | A | 0.6413 | |
| 226 | S | A | 0.4718 | |
| 227 | G | A | 0.5681 | |
| 228 | Y | A | 1.0254 | |
| 229 | T | A | -0.0439 | |
| 230 | P | A | -0.8772 | |
| 231 | H | A | -1.5571 | |
| 232 | D | A | -2.4150 | |
| 233 | G | A | 0.0000 | |
| 234 | S | A | -1.1290 | |
| 235 | G | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | V | A | 0.3923 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | -0.6211 | |
| 240 | V | A | 0.0000 | |
| 241 | N | A | -1.8062 | |
| 242 | E | A | 0.0000 | |
| 243 | T | A | -0.3206 | |
| 244 | V | A | 0.7880 | |
| 245 | E | A | -0.7640 | |
| 246 | S | A | -0.4490 | |
| 247 | C | A | 0.0000 | |
| 248 | L | A | 1.1350 | |
| 249 | A | A | 0.1012 | |
| 250 | K | A | -0.3785 | |
| 251 | P | A | -0.8385 | |
| 252 | H | A | -1.4636 | |
| 253 | T | A | -1.6857 | |
| 254 | E | A | -2.2547 | |
| 255 | N | A | -1.6127 | |
| 256 | S | A | -0.3900 | |
| 257 | F | A | 0.0000 | |
| 258 | T | A | -0.8587 | |
| 259 | N | A | -1.1797 | |
| 260 | V | A | -0.6489 | |
| 261 | W | A | -0.8411 | |
| 262 | K | A | -1.7800 | |
| 263 | D | A | -2.1176 | |
| 264 | D | A | -2.8292 | |
| 265 | K | A | -2.5996 | |
| 266 | T | A | -1.3954 | |
| 267 | L | A | -0.7475 | |
| 268 | D | A | -1.4073 | |
| 269 | R | A | -1.0218 | |
| 270 | Y | A | -0.2461 | |
| 271 | A | A | 0.0000 | |
| 272 | N | A | -0.2148 | |
| 273 | Y | A | 0.0976 | |
| 274 | E | A | -1.1115 | |
| 275 | G | A | -0.2774 | |
| 276 | C | A | 0.0000 | |
| 277 | L | A | 1.0298 | |
| 278 | W | A | 0.0000 | |
| 279 | N | A | -0.3056 | |
| 280 | A | A | -0.2940 | |
| 281 | T | A | -0.3459 | |
| 282 | G | A | 0.4714 | |
| 283 | V | A | 2.2184 | |
| 284 | V | A | 2.1143 | |
| 285 | V | A | 2.3783 | |
| 286 | C | A | 0.3911 | |
| 287 | T | A | -0.8485 | |
| 288 | G | A | -1.6967 | |
| 289 | D | A | -2.9842 | |
| 290 | E | A | -2.6462 | |
| 291 | T | A | -2.1133 | |
| 292 | Q | A | -1.3876 | |
| 293 | C | A | 0.0000 | |
| 294 | Y | A | 1.1336 | |
| 295 | G | A | 0.0000 | |
| 296 | T | A | -0.6866 | |
| 297 | W | A | 0.0000 | |
| 298 | V | A | -0.0374 | |
| 299 | P | A | 0.0000 | |
| 300 | I | A | 1.4360 | |
| 301 | G | A | 0.0000 | |
| 302 | L | A | 1.0949 | |
| 303 | A | A | 0.5254 | |
| 304 | I | A | -0.3394 | |
| 305 | P | A | -1.6746 | |
| 306 | E | A | -2.8743 | |
| 307 | N | A | -2.9817 | |
| 308 | E | A | -2.8465 |
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