| Chain sequence(s) |
A: FRKTHHKEKDVPWLPPKTAPTRKLFVFQTLYGEPLNPEAEKAWDELMPIGRGFVNINNDTALPDQPGLDQSLPHQRAMISVFHQLHCIYMTREGYYAAREGNLDQVNAAHLMHCWDYLRQAIMCHADTTLEWIPAPPNDKGSTGWGVEHTCGDFDAIARWAEDNRLKTTYGIH
B: FRKTHHKEKDVPWLPPKTAPTRKLFVFQTLYGEPLNPEAEKAWDELMPIGRGFVNINNDTALPDQPGLDQSLPHQRAMISVFHQLHCIYMTREGYYAAREGNLDQVNAAHLMHCWDYLRQAIMCHADTTLEWIPAPPNDKGSTGWGVEHTCGDFDAIARWAEDNRLKTTYGIH 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] (00:00:00)
[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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:24)
[INFO] Main: Simulation completed successfully. (00:04:26)
|
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 | F | A | 0.5460 | |
| 2 | R | A | -1.8899 | |
| 3 | K | A | -2.5154 | |
| 4 | T | A | -2.2715 | |
| 5 | H | A | -3.1206 | |
| 6 | H | A | -3.4943 | |
| 7 | K | A | -4.2157 | |
| 8 | E | A | -4.5921 | |
| 9 | K | A | -4.3563 | |
| 10 | D | A | -3.6785 | |
| 11 | V | A | -1.9383 | |
| 12 | P | A | -1.0884 | |
| 13 | W | A | 0.0000 | |
| 14 | L | A | -0.5283 | |
| 15 | P | A | 0.0000 | |
| 16 | P | A | -1.4824 | |
| 17 | K | A | -2.6511 | |
| 18 | T | A | -1.5814 | |
| 19 | A | A | -0.7155 | |
| 20 | P | A | -1.1802 | |
| 21 | T | A | -1.4181 | |
| 22 | R | A | -2.0414 | |
| 23 | K | A | -1.3083 | |
| 24 | L | A | 0.2485 | |
| 25 | F | A | 0.0000 | |
| 26 | V | A | 1.9354 | |
| 27 | F | A | 1.2911 | |
| 28 | Q | A | -0.0474 | |
| 29 | T | A | 0.0611 | |
| 30 | L | A | -0.1185 | |
| 31 | Y | A | -0.3194 | |
| 32 | G | A | 0.0000 | |
| 33 | E | A | -0.7648 | |
| 34 | P | A | -0.3152 | |
| 35 | L | A | -0.1442 | |
| 36 | N | A | -1.0853 | |
| 37 | P | A | -1.7175 | |
| 38 | E | A | -2.6094 | |
| 39 | A | A | 0.0000 | |
| 40 | E | A | -2.1925 | |
| 41 | K | A | -3.1609 | |
| 42 | A | A | -1.9786 | |
| 43 | W | A | 0.0000 | |
| 44 | D | A | -2.0353 | |
| 45 | E | A | -2.1797 | |
| 46 | L | A | -1.2703 | |
| 47 | M | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | I | A | -0.6658 | |
| 50 | G | A | 0.0000 | |
| 51 | R | A | -0.6328 | |
| 52 | G | A | 0.0000 | |
| 53 | F | A | -0.5501 | |
| 54 | V | A | 0.0000 | |
| 55 | N | A | -1.3458 | |
| 56 | I | A | 0.0000 | |
| 57 | N | A | -2.1629 | |
| 58 | N | A | -2.0029 | |
| 59 | D | A | -2.3508 | |
| 60 | T | A | -1.2215 | |
| 61 | A | A | -0.8808 | |
| 62 | L | A | 0.0000 | |
| 63 | P | A | -1.2918 | |
| 64 | D | A | -2.3605 | |
| 65 | Q | A | -1.6431 | |
| 66 | P | A | -0.8848 | |
| 67 | G | A | -1.0387 | |
| 68 | L | A | -1.2920 | |
| 69 | D | A | -1.6369 | |
| 70 | Q | A | -1.7811 | |
| 71 | S | A | -0.8677 | |
| 72 | L | A | -0.6708 | |
| 73 | P | A | -0.6524 | |
| 74 | H | A | -1.1822 | |
| 75 | Q | A | 0.0000 | |
| 76 | R | A | -0.7373 | |
| 77 | A | A | 0.0000 | |
| 78 | M | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | Q | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | H | A | -0.4392 | |
| 87 | C | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | Y | A | 0.0000 | |
| 90 | M | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | R | A | 0.0000 | |
| 93 | E | A | -0.4341 | |
| 94 | G | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | R | A | -2.4762 | |
| 100 | E | A | -2.8182 | |
| 101 | G | A | -2.7326 | |
| 102 | N | A | -2.6521 | |
| 103 | L | A | -2.0195 | |
| 104 | D | A | -2.5958 | |
| 105 | Q | A | -2.0395 | |
| 106 | V | A | 0.0000 | |
| 107 | N | A | -1.8603 | |
| 108 | A | A | -1.0353 | |
| 109 | A | A | -0.5172 | |
| 110 | H | A | -0.6568 | |
| 111 | L | A | 0.0000 | |
| 112 | M | A | -0.2361 | |
| 113 | H | A | -0.1707 | |
| 114 | C | A | 0.0000 | |
| 115 | W | A | 0.0000 | |
| 116 | D | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | 0.0000 | |
| 120 | Q | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | M | A | -0.3149 | |
| 124 | C | A | 0.0000 | |
| 125 | H | A | -0.5669 | |
| 126 | A | A | 0.0000 | |
| 127 | D | A | -0.3094 | |
| 128 | T | A | -0.3570 | |
| 129 | T | A | -0.0460 | |
| 130 | L | A | 0.0405 | |
| 131 | E | A | 0.0000 | |
| 132 | W | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | P | A | -1.2390 | |
| 135 | A | A | -1.1149 | |
| 136 | P | A | -1.3196 | |
| 137 | P | A | -1.4828 | |
| 138 | N | A | -2.2671 | |
| 139 | D | A | -2.1853 | |
| 140 | K | A | -2.4591 | |
| 141 | G | A | -1.3771 | |
| 142 | S | A | -0.7803 | |
| 143 | T | A | 0.1428 | |
| 144 | G | A | 0.0000 | |
| 145 | W | A | 0.8496 | |
| 146 | G | A | 0.3629 | |
| 147 | V | A | 0.0000 | |
| 148 | E | A | -0.7319 | |
| 149 | H | A | 0.0000 | |
| 150 | T | A | -1.0447 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | -1.5078 | |
| 153 | D | A | -1.7913 | |
| 154 | F | A | -1.4256 | |
| 155 | D | A | -2.4492 | |
| 156 | A | A | -1.9906 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | -1.9766 | |
| 159 | R | A | -2.9540 | |
| 160 | W | A | -1.9774 | |
| 161 | A | A | 0.0000 | |
| 162 | E | A | -2.4449 | |
| 163 | D | A | -2.7486 | |
| 164 | N | A | -2.1638 | |
| 165 | R | A | -2.1862 | |
| 166 | L | A | -1.2987 | |
| 167 | K | A | -1.7622 | |
| 168 | T | A | -0.7254 | |
| 169 | T | A | 0.0112 | |
| 170 | Y | A | 0.6066 | |
| 171 | G | A | -0.6008 | |
| 172 | I | A | 0.0000 | |
| 173 | H | A | -1.0520 | |
| 1 | F | B | 0.5406 | |
| 2 | R | B | -1.8926 | |
| 3 | K | B | -2.5132 | |
| 4 | T | B | -2.2751 | |
| 5 | H | B | -3.1228 | |
| 6 | H | B | -3.4912 | |
| 7 | K | B | -4.2035 | |
| 8 | E | B | -4.5896 | |
| 9 | K | B | -4.3581 | |
| 10 | D | B | -3.6989 | |
| 11 | V | B | -1.9874 | |
| 12 | P | B | -1.1193 | |
| 13 | W | B | 0.0000 | |
| 14 | L | B | -0.5917 | |
| 15 | P | B | 0.0000 | |
| 16 | P | B | -1.5134 | |
| 17 | K | B | -2.6487 | |
| 18 | T | B | -1.5812 | |
| 19 | A | B | -0.6974 | |
| 20 | P | B | -1.1067 | |
| 21 | T | B | -1.2754 | |
| 22 | R | B | -1.7749 | |
| 23 | K | B | -0.9601 | |
| 24 | L | B | 0.4593 | |
| 25 | F | B | 0.0000 | |
| 26 | V | B | 1.9058 | |
| 27 | F | B | 1.1340 | |
| 28 | Q | B | -0.1413 | |
| 29 | T | B | 0.0040 | |
| 30 | L | B | -0.1735 | |
| 31 | Y | B | -0.3536 | |
| 32 | G | B | 0.0000 | |
| 33 | E | B | -0.7667 | |
| 34 | P | B | -0.3828 | |
| 35 | L | B | -0.2077 | |
| 36 | N | B | -1.1307 | |
| 37 | P | B | -1.7393 | |
| 38 | E | B | -2.6164 | |
| 39 | A | B | 0.0000 | |
| 40 | E | B | -2.2068 | |
| 41 | K | B | -3.1569 | |
| 42 | A | B | -1.9773 | |
| 43 | W | B | 0.0000 | |
| 44 | D | B | -2.0016 | |
| 45 | E | B | -2.1710 | |
| 46 | L | B | -1.2699 | |
| 47 | M | B | 0.0000 | |
| 48 | P | B | 0.0000 | |
| 49 | I | B | -0.5297 | |
| 50 | G | B | 0.0000 | |
| 51 | R | B | -0.4307 | |
| 52 | G | B | 0.0000 | |
| 53 | F | B | -0.4323 | |
| 54 | V | B | 0.0000 | |
| 55 | N | B | -1.3135 | |
| 56 | I | B | 0.0000 | |
| 57 | N | B | -2.1834 | |
| 58 | N | B | -2.0186 | |
| 59 | D | B | -2.3556 | |
| 60 | T | B | -1.2277 | |
| 61 | A | B | -0.8827 | |
| 62 | L | B | 0.0000 | |
| 63 | P | B | -1.2891 | |
| 64 | D | B | -2.3550 | |
| 65 | Q | B | -1.6269 | |
| 66 | P | B | -0.8734 | |
| 67 | G | B | -1.0186 | |
| 68 | L | B | -1.2762 | |
| 69 | D | B | -1.6318 | |
| 70 | Q | B | -1.7775 | |
| 71 | S | B | -0.8651 | |
| 72 | L | B | -0.6716 | |
| 73 | P | B | -0.6366 | |
| 74 | H | B | -1.1613 | |
| 75 | Q | B | 0.0000 | |
| 76 | R | B | -0.7837 | |
| 77 | A | B | 0.0000 | |
| 78 | M | B | 0.0000 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | V | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | H | B | 0.0000 | |
| 84 | Q | B | 0.0000 | |
| 85 | L | B | 0.0000 | |
| 86 | H | B | -0.4125 | |
| 87 | C | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | Y | B | 0.0000 | |
| 90 | M | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | R | B | 0.0000 | |
| 93 | E | B | -0.4631 | |
| 94 | G | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | R | B | -2.4928 | |
| 100 | E | B | -2.8620 | |
| 101 | G | B | -2.8032 | |
| 102 | N | B | -2.8040 | |
| 103 | L | B | -2.0967 | |
| 104 | D | B | -2.6572 | |
| 105 | Q | B | -2.1217 | |
| 106 | V | B | 0.0000 | |
| 107 | N | B | -1.8759 | |
| 108 | A | B | -1.0508 | |
| 109 | A | B | -0.5348 | |
| 110 | H | B | -0.6665 | |
| 111 | L | B | 0.0000 | |
| 112 | M | B | -0.2388 | |
| 113 | H | B | -0.1552 | |
| 114 | C | B | 0.0000 | |
| 115 | W | B | 0.0000 | |
| 116 | D | B | 0.0000 | |
| 117 | Y | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | R | B | 0.0000 | |
| 120 | Q | B | 0.0000 | |
| 121 | A | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | M | B | -0.2638 | |
| 124 | C | B | 0.0000 | |
| 125 | H | B | -0.5341 | |
| 126 | A | B | 0.0000 | |
| 127 | D | B | -0.2947 | |
| 128 | T | B | -0.3593 | |
| 129 | T | B | -0.1131 | |
| 130 | L | B | 0.0000 | |
| 131 | E | B | 0.0000 | |
| 132 | W | B | 0.0000 | |
| 133 | I | B | 0.0000 | |
| 134 | P | B | -1.2033 | |
| 135 | A | B | -1.0853 | |
| 136 | P | B | -1.2917 | |
| 137 | P | B | -1.4606 | |
| 138 | N | B | -2.2315 | |
| 139 | D | B | -2.1049 | |
| 140 | K | B | -2.4320 | |
| 141 | G | B | -1.3415 | |
| 142 | S | B | -0.7711 | |
| 143 | T | B | -0.0450 | |
| 144 | G | B | 0.0000 | |
| 145 | W | B | 0.8203 | |
| 146 | G | B | 0.3820 | |
| 147 | V | B | 0.0000 | |
| 148 | E | B | -0.6211 | |
| 149 | H | B | 0.0000 | |
| 150 | T | B | -0.9281 | |
| 151 | C | B | 0.0000 | |
| 152 | G | B | -1.4828 | |
| 153 | D | B | -1.8080 | |
| 154 | F | B | 0.0000 | |
| 155 | D | B | -2.5170 | |
| 156 | A | B | -2.0222 | |
| 157 | I | B | 0.0000 | |
| 158 | A | B | -2.0025 | |
| 159 | R | B | -2.9790 | |
| 160 | W | B | -2.0017 | |
| 161 | A | B | 0.0000 | |
| 162 | E | B | -2.3457 | |
| 163 | D | B | -2.7410 | |
| 164 | N | B | -2.0971 | |
| 165 | R | B | -1.9683 | |
| 166 | L | B | -0.9638 | |
| 167 | K | B | -1.1243 | |
| 168 | T | B | -0.4080 | |
| 169 | T | B | 0.2118 | |
| 170 | Y | B | 0.7096 | |
| 171 | G | B | -0.5666 | |
| 172 | I | B | 0.0000 | |
| 173 | H | B | -1.0311 |
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