| Chain sequence(s) |
A: MTLKALELFAGIAGITHGLRGFVEPVAFVEINKDAQEFLSTKFPDKPVFDDVTKFSKRDFDEPIDMITGGFPCTGFSIAGKRNGFEHAESGLFGEVVRITKEYMPKMVFLENSGMLSHKYNLDIVIRSMDSLGYDCRWVTLRATVVGALHTRHRWFCLCTRKDHIRETLICDREVTKFDWENDRPPIQVDSRSYENSRLVRFAGYSVVPDQIRYAFTGLYTGNFSPSFSKTLVPGSLEGSICFNEDKITNGYYKDGVYYEFVRTETHR
B: EPVNILLTPREIPNKHNGKKLLTLPVTKRYWCTPCASYGKGTAGGRVLTDRSSHSLPTQVKFSPEGEDGKHLSGKFCAWLMGYDKEYLGNLLEY input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:09:13)
[INFO] Main: Simulation completed successfully. (00:09:17)
|
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 | 0.9532 | |
| 2 | T | A | -0.1006 | |
| 3 | L | A | 0.0000 | |
| 4 | K | A | -0.9311 | |
| 5 | A | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | F | A | 0.3150 | |
| 10 | A | A | 0.0000 | |
| 11 | G | A | 0.0827 | |
| 12 | I | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | T | A | 0.0000 | |
| 17 | H | A | -0.4148 | |
| 18 | G | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | R | A | -1.3173 | |
| 21 | G | A | 0.0000 | |
| 22 | F | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | E | A | -1.3439 | |
| 25 | P | A | -0.6779 | |
| 26 | V | A | -0.7093 | |
| 27 | A | A | 0.0000 | |
| 28 | F | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | E | A | 0.0000 | |
| 31 | I | A | 0.0723 | |
| 32 | N | A | -1.4531 | |
| 33 | K | A | -2.5272 | |
| 34 | D | A | -1.8485 | |
| 35 | A | A | 0.0000 | |
| 36 | Q | A | 0.0000 | |
| 37 | E | A | -2.5456 | |
| 38 | F | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | S | A | -1.2868 | |
| 41 | T | A | -1.3308 | |
| 42 | K | A | -1.3293 | |
| 43 | F | A | -1.0345 | |
| 44 | P | A | -1.3056 | |
| 45 | D | A | -2.0167 | |
| 46 | K | A | -1.0782 | |
| 47 | P | A | -0.5452 | |
| 48 | V | A | -0.2788 | |
| 49 | F | A | -0.6855 | |
| 50 | D | A | -1.7742 | |
| 51 | D | A | -1.2425 | |
| 52 | V | A | 0.0000 | |
| 53 | T | A | -1.1688 | |
| 54 | K | A | -2.3675 | |
| 55 | F | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | K | A | -3.3863 | |
| 58 | R | A | -3.8933 | |
| 59 | D | A | -3.7559 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | -3.9068 | |
| 62 | E | A | -3.2239 | |
| 63 | P | A | -1.5144 | |
| 64 | I | A | -0.8029 | |
| 65 | D | A | 0.0000 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | G | A | 0.0201 | |
| 71 | F | A | 0.0000 | |
| 72 | P | A | 0.0402 | |
| 73 | C | A | 0.0817 | |
| 74 | T | A | 0.1306 | |
| 75 | G | A | -0.2165 | |
| 76 | F | A | 0.0000 | |
| 77 | S | A | 0.6007 | |
| 78 | I | A | 0.9551 | |
| 79 | A | A | -0.1395 | |
| 80 | G | A | -1.7104 | |
| 81 | K | A | -2.8681 | |
| 82 | R | A | -3.0063 | |
| 83 | N | A | -2.8782 | |
| 84 | G | A | -1.7477 | |
| 85 | F | A | -0.6148 | |
| 86 | E | A | -2.0837 | |
| 87 | H | A | -2.0367 | |
| 88 | A | A | -1.2485 | |
| 89 | E | A | -1.8604 | |
| 90 | S | A | -1.0335 | |
| 91 | G | A | -0.9463 | |
| 92 | L | A | -0.2352 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | -0.6199 | |
| 95 | E | A | -0.8340 | |
| 96 | V | A | 0.0000 | |
| 97 | V | A | -0.5592 | |
| 98 | R | A | -1.1929 | |
| 99 | I | A | 0.0000 | |
| 100 | T | A | 0.0000 | |
| 101 | K | A | -1.9515 | |
| 102 | E | A | -1.5863 | |
| 103 | Y | A | -1.2067 | |
| 104 | M | A | -0.5690 | |
| 105 | P | A | 0.0000 | |
| 106 | K | A | -0.9999 | |
| 107 | M | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | -0.2919 | |
| 112 | N | A | 0.0000 | |
| 113 | S | A | -0.1881 | |
| 114 | G | A | 0.0000 | |
| 115 | M | A | 0.0431 | |
| 116 | L | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | H | A | -1.2117 | |
| 119 | K | A | -1.3736 | |
| 120 | Y | A | 0.4936 | |
| 121 | N | A | -0.0054 | |
| 122 | L | A | 0.0000 | |
| 123 | D | A | -0.5159 | |
| 124 | I | A | -0.5467 | |
| 125 | V | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | R | A | -1.8936 | |
| 128 | S | A | -0.8901 | |
| 129 | M | A | 0.0000 | |
| 130 | D | A | -2.0369 | |
| 131 | S | A | -1.0426 | |
| 132 | L | A | -1.0473 | |
| 133 | G | A | -1.6712 | |
| 134 | Y | A | 0.0000 | |
| 135 | D | A | -2.5990 | |
| 136 | C | A | 0.0000 | |
| 137 | R | A | -0.6972 | |
| 138 | W | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | T | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | R | A | -1.3418 | |
| 143 | A | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | V | A | -0.6282 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | -1.2266 | |
| 148 | A | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | T | A | -0.5782 | |
| 152 | R | A | 0.0000 | |
| 153 | H | A | -0.8861 | |
| 154 | R | A | -0.6937 | |
| 155 | W | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | T | A | -1.3271 | |
| 161 | R | A | -2.0517 | |
| 162 | K | A | -2.9910 | |
| 163 | D | A | -2.5967 | |
| 164 | H | A | -1.2062 | |
| 165 | I | A | 0.4467 | |
| 166 | R | A | -0.3258 | |
| 167 | E | A | -0.9654 | |
| 168 | T | A | 0.2707 | |
| 169 | L | A | 0.0000 | |
| 170 | I | A | 0.3785 | |
| 171 | C | A | 0.0000 | |
| 172 | D | A | -2.5923 | |
| 173 | R | A | -3.3167 | |
| 174 | E | A | -3.0723 | |
| 175 | V | A | -1.7648 | |
| 176 | T | A | -1.2438 | |
| 177 | K | A | -1.5066 | |
| 178 | F | A | -1.7555 | |
| 179 | D | A | -3.2889 | |
| 180 | W | A | 0.0000 | |
| 181 | E | A | -3.4959 | |
| 182 | N | A | -3.7400 | |
| 183 | D | A | -3.6315 | |
| 184 | R | A | -2.8281 | |
| 185 | P | A | 0.0000 | |
| 186 | P | A | -0.9619 | |
| 187 | I | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | V | A | -1.5276 | |
| 190 | D | A | -2.8009 | |
| 191 | S | A | -1.9587 | |
| 192 | R | A | -2.0651 | |
| 193 | S | A | -0.5637 | |
| 194 | Y | A | 0.2817 | |
| 195 | E | A | -0.6339 | |
| 196 | N | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | R | A | -0.8080 | |
| 199 | L | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | R | A | -0.6218 | |
| 202 | F | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | 0.4145 | |
| 205 | Y | A | 1.1322 | |
| 206 | S | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | D | A | 0.0000 | |
| 211 | Q | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | R | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | T | A | -0.0475 | |
| 222 | G | A | -0.8745 | |
| 223 | N | A | -0.9787 | |
| 224 | F | A | -0.6026 | |
| 225 | S | A | -0.5474 | |
| 226 | P | A | -0.4218 | |
| 227 | S | A | -0.3232 | |
| 228 | F | A | -0.3649 | |
| 229 | S | A | -0.4868 | |
| 230 | K | A | -1.8557 | |
| 231 | T | A | -0.0813 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 1.1348 | |
| 234 | P | A | 0.2910 | |
| 235 | G | A | -0.4488 | |
| 236 | S | A | -0.9839 | |
| 237 | L | A | 0.0000 | |
| 238 | E | A | -1.8799 | |
| 239 | G | A | -0.8150 | |
| 240 | S | A | 0.1810 | |
| 241 | I | A | 1.4156 | |
| 242 | C | A | 0.4534 | |
| 243 | F | A | 1.0151 | |
| 244 | N | A | -1.7379 | |
| 245 | E | A | -3.2781 | |
| 246 | D | A | -3.1835 | |
| 247 | K | A | -2.6341 | |
| 248 | I | A | 0.0000 | |
| 249 | T | A | -0.6795 | |
| 250 | N | A | -0.1581 | |
| 251 | G | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | K | A | -2.1714 | |
| 255 | D | A | -2.4508 | |
| 256 | G | A | -1.6476 | |
| 257 | V | A | 0.1218 | |
| 258 | Y | A | 0.1367 | |
| 259 | Y | A | 0.1710 | |
| 260 | E | A | -0.3838 | |
| 261 | F | A | 0.0000 | |
| 262 | V | A | 1.0293 | |
| 263 | R | A | 0.2056 | |
| 264 | T | A | -0.2337 | |
| 265 | E | A | -0.9193 | |
| 266 | T | A | -0.8214 | |
| 267 | H | A | -1.3895 | |
| 268 | R | A | -1.3012 | |
| 1 | E | B | -2.2123 | |
| 2 | P | B | -1.5823 | |
| 3 | V | B | -0.5677 | |
| 4 | N | B | -1.1555 | |
| 5 | I | B | 0.0000 | |
| 6 | L | B | 0.4441 | |
| 7 | L | B | 0.0000 | |
| 8 | T | B | 0.0196 | |
| 9 | P | B | -0.6189 | |
| 10 | R | B | -2.7760 | |
| 11 | E | B | -2.6678 | |
| 12 | I | B | -1.4329 | |
| 13 | P | B | -2.0832 | |
| 14 | N | B | -2.3944 | |
| 15 | K | B | -2.9478 | |
| 16 | H | B | -2.7586 | |
| 17 | N | B | -2.8329 | |
| 18 | G | B | -2.8000 | |
| 19 | K | B | -3.3131 | |
| 20 | K | B | -3.1187 | |
| 21 | L | B | -1.2867 | |
| 22 | L | B | -0.4575 | |
| 23 | T | B | 0.3132 | |
| 24 | L | B | 1.4227 | |
| 25 | P | B | 0.7404 | |
| 26 | V | B | 0.4032 | |
| 27 | T | B | -0.0881 | |
| 28 | K | B | -1.1201 | |
| 29 | R | B | -2.0625 | |
| 30 | Y | B | -0.9963 | |
| 31 | W | B | 0.0000 | |
| 32 | C | B | 0.0000 | |
| 33 | T | B | -0.1318 | |
| 34 | P | B | 0.0000 | |
| 35 | C | B | 0.2952 | |
| 36 | A | B | -0.2259 | |
| 37 | S | B | -0.6321 | |
| 38 | Y | B | -0.7956 | |
| 39 | G | B | 0.0000 | |
| 40 | K | B | -2.0100 | |
| 41 | G | B | -1.3084 | |
| 42 | T | B | 0.0000 | |
| 43 | A | B | -1.6850 | |
| 44 | G | B | -1.3177 | |
| 45 | G | B | -1.4441 | |
| 46 | R | B | -3.0154 | |
| 47 | V | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | T | B | 0.0000 | |
| 50 | D | B | -3.1963 | |
| 51 | R | B | -3.3907 | |
| 52 | S | B | -2.3502 | |
| 53 | S | B | 0.0000 | |
| 54 | H | B | -1.9174 | |
| 55 | S | B | -1.0563 | |
| 56 | L | B | 0.0000 | |
| 57 | P | B | 0.0000 | |
| 58 | T | B | 0.0000 | |
| 59 | Q | B | 0.0000 | |
| 60 | V | B | 0.0000 | |
| 61 | K | B | -2.0953 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | 0.0000 | |
| 64 | P | B | -1.2622 | |
| 65 | E | B | -2.4748 | |
| 66 | G | B | -2.6060 | |
| 67 | E | B | -3.7415 | |
| 68 | D | B | -3.8722 | |
| 69 | G | B | -2.8368 | |
| 70 | K | B | -2.8942 | |
| 71 | H | B | -1.9205 | |
| 72 | L | B | 0.0000 | |
| 73 | S | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | K | B | -1.1243 | |
| 76 | F | B | 0.0000 | |
| 77 | C | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | W | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | M | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | D | B | -2.9208 | |
| 85 | K | B | -3.4395 | |
| 86 | E | B | -3.0841 | |
| 87 | Y | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | G | B | -2.4323 | |
| 90 | N | B | -2.2977 | |
| 91 | L | B | 0.0000 | |
| 92 | L | B | 0.0000 | |
| 93 | E | B | -2.0549 | |
| 94 | Y | B | 0.0867 |
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