| Chain sequence(s) |
A: METVITADVLRRGGVDVTRAGLAGNGPVTCSRNVVIKPDAAFTDAIKKDYDVIIRPGGMKGAESLAASSAVGDLLKKQEEKNAFIACICAAPIALKSHGIAKGKKITSHPSVDKQLKEAGYNYSEDRVVVDGKLMTSRGPGTTFEFALAIVEILVGKE
B: METVITADVLRRGGVDVTRAGLAGNGPVTCSRNVVIKPDAAFTDAIKKDYDVIIRPGGMKGAESLAASSAVGDLLKKQEEKNAFIACICAAPIALKSHGIAKGKKITSHPSVDKQLKEAGYNYSEDRVVVDGKLMTSRGPGTTFEFALAIVEILVGKE 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 (00:10:24)
[INFO] Main: Simulation completed successfully. (00:10:27)
|
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 | 0.0000 | |
| 2 | E | A | 0.0000 | |
| 3 | T | A | -0.0126 | |
| 4 | V | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | T | A | 0.0000 | |
| 7 | A | A | 0.0000 | |
| 8 | D | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | R | A | -1.8492 | |
| 12 | R | A | -2.0591 | |
| 13 | G | A | -1.0474 | |
| 14 | G | A | -1.1850 | |
| 15 | V | A | -1.1140 | |
| 16 | D | A | -2.0928 | |
| 17 | V | A | -0.9666 | |
| 18 | T | A | -0.7378 | |
| 19 | R | A | -0.8675 | |
| 20 | A | A | -0.7480 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.3212 | |
| 23 | A | A | 0.0168 | |
| 24 | G | A | -0.8271 | |
| 25 | N | A | -1.9320 | |
| 26 | G | A | -1.1398 | |
| 27 | P | A | -0.5629 | |
| 28 | V | A | 0.4766 | |
| 29 | T | A | -0.1348 | |
| 30 | C | A | -0.4942 | |
| 31 | S | A | -0.9943 | |
| 32 | R | A | -1.6156 | |
| 33 | N | A | -1.5848 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -0.3628 | |
| 36 | I | A | 0.0000 | |
| 37 | K | A | -0.8544 | |
| 38 | P | A | 0.0000 | |
| 39 | D | A | -1.8578 | |
| 40 | A | A | -1.5211 | |
| 41 | A | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | T | A | -1.0133 | |
| 44 | D | A | -2.1699 | |
| 45 | A | A | 0.0000 | |
| 46 | I | A | -1.3149 | |
| 47 | K | A | -2.4323 | |
| 48 | K | A | -2.5696 | |
| 49 | D | A | -2.9704 | |
| 50 | Y | A | -1.8353 | |
| 51 | D | A | -2.0663 | |
| 52 | V | A | -0.4933 | |
| 53 | I | A | 0.0000 | |
| 54 | I | A | 0.3024 | |
| 55 | R | A | 0.0000 | |
| 56 | P | A | 0.0074 | |
| 57 | G | A | -0.5437 | |
| 58 | G | A | -0.8650 | |
| 59 | M | A | -0.9964 | |
| 60 | K | A | -2.3182 | |
| 61 | G | A | -1.5441 | |
| 62 | A | A | 0.0000 | |
| 63 | E | A | -2.4500 | |
| 64 | S | A | -1.4056 | |
| 65 | L | A | 0.0000 | |
| 66 | A | A | -1.0548 | |
| 67 | A | A | -0.5698 | |
| 68 | S | A | -0.5627 | |
| 69 | S | A | -0.6744 | |
| 70 | A | A | -0.6823 | |
| 71 | V | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | D | A | -2.6340 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -3.7527 | |
| 77 | K | A | -3.8573 | |
| 78 | Q | A | 0.0000 | |
| 79 | E | A | -3.7972 | |
| 80 | E | A | -4.1846 | |
| 81 | K | A | -4.0856 | |
| 82 | N | A | -3.6030 | |
| 83 | A | A | -2.5765 | |
| 84 | F | A | -0.8451 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | C | A | -0.2545 | |
| 90 | A | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | I | A | -0.9205 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -1.2439 | |
| 97 | S | A | -0.7451 | |
| 98 | H | A | -0.9191 | |
| 99 | G | A | -1.0149 | |
| 100 | I | A | 0.0000 | |
| 101 | A | A | -1.8432 | |
| 102 | K | A | -2.4587 | |
| 103 | G | A | -2.0307 | |
| 104 | K | A | -2.0778 | |
| 105 | K | A | -1.8361 | |
| 106 | I | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | H | A | -1.2407 | |
| 110 | P | A | -1.1735 | |
| 111 | S | A | -0.9437 | |
| 112 | V | A | 0.0000 | |
| 113 | D | A | -2.1421 | |
| 114 | K | A | -3.0380 | |
| 115 | Q | A | -2.4607 | |
| 116 | L | A | 0.0000 | |
| 117 | K | A | -2.7623 | |
| 118 | E | A | -2.9043 | |
| 119 | A | A | -1.4558 | |
| 120 | G | A | -1.7877 | |
| 121 | Y | A | -1.8596 | |
| 122 | N | A | -2.0265 | |
| 123 | Y | A | -1.4970 | |
| 124 | S | A | -2.0435 | |
| 125 | E | A | -3.1199 | |
| 126 | D | A | -3.2283 | |
| 127 | R | A | -3.0013 | |
| 128 | V | A | -1.2339 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0381 | |
| 131 | D | A | -0.8935 | |
| 132 | G | A | -1.1071 | |
| 133 | K | A | -1.1835 | |
| 134 | L | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | R | A | -1.5410 | |
| 139 | G | A | 0.0000 | |
| 140 | P | A | -0.3016 | |
| 141 | G | A | -0.6951 | |
| 142 | T | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | F | A | 0.0915 | |
| 145 | E | A | -0.6452 | |
| 146 | F | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | L | A | 0.3146 | |
| 149 | A | A | 0.2917 | |
| 150 | I | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -0.5697 | |
| 153 | I | A | 0.7109 | |
| 154 | L | A | 0.8157 | |
| 155 | V | A | 0.8814 | |
| 156 | G | A | -0.7337 | |
| 157 | K | A | -2.3364 | |
| 158 | E | A | -2.5725 | |
| 1 | M | B | 0.0000 | |
| 2 | E | B | 0.0000 | |
| 3 | T | B | -0.0203 | |
| 4 | V | B | 0.0000 | |
| 5 | I | B | 0.0000 | |
| 6 | T | B | 0.0000 | |
| 7 | A | B | 0.0000 | |
| 8 | D | B | 0.0000 | |
| 9 | V | B | 0.0000 | |
| 10 | L | B | 0.0000 | |
| 11 | R | B | -1.8342 | |
| 12 | R | B | -2.0257 | |
| 13 | G | B | -1.0275 | |
| 14 | G | B | -1.1686 | |
| 15 | V | B | -1.0981 | |
| 16 | D | B | -2.0811 | |
| 17 | V | B | -0.9703 | |
| 18 | T | B | -0.7613 | |
| 19 | R | B | -0.9179 | |
| 20 | A | B | -0.7928 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | 0.2828 | |
| 23 | A | B | 0.0033 | |
| 24 | G | B | -0.8444 | |
| 25 | N | B | -1.9748 | |
| 26 | G | B | -1.1680 | |
| 27 | P | B | -0.5900 | |
| 28 | V | B | 0.4549 | |
| 29 | T | B | -0.1451 | |
| 30 | C | B | -0.5090 | |
| 31 | S | B | -1.0173 | |
| 32 | R | B | -1.6307 | |
| 33 | N | B | -1.5780 | |
| 34 | V | B | 0.0000 | |
| 35 | V | B | -0.3424 | |
| 36 | I | B | 0.0000 | |
| 37 | K | B | -0.9131 | |
| 38 | P | B | 0.0000 | |
| 39 | D | B | -1.9755 | |
| 40 | A | B | -1.5930 | |
| 41 | A | B | 0.0000 | |
| 42 | F | B | 0.0000 | |
| 43 | T | B | -1.0331 | |
| 44 | D | B | -2.2025 | |
| 45 | A | B | 0.0000 | |
| 46 | I | B | -1.2367 | |
| 47 | K | B | -2.3724 | |
| 48 | K | B | -2.4672 | |
| 49 | D | B | -2.9183 | |
| 50 | Y | B | -1.8083 | |
| 51 | D | B | -2.0699 | |
| 52 | V | B | -0.5430 | |
| 53 | I | B | 0.0000 | |
| 54 | I | B | 0.2310 | |
| 55 | R | B | 0.0000 | |
| 56 | P | B | -0.0166 | |
| 57 | G | B | -0.5737 | |
| 58 | G | B | -0.9015 | |
| 59 | M | B | -1.0641 | |
| 60 | K | B | -2.3483 | |
| 61 | G | B | -1.5739 | |
| 62 | A | B | 0.0000 | |
| 63 | E | B | -2.4430 | |
| 64 | S | B | -1.3684 | |
| 65 | L | B | 0.0000 | |
| 66 | A | B | -1.0074 | |
| 67 | A | B | -0.5447 | |
| 68 | S | B | -0.5514 | |
| 69 | S | B | -0.6737 | |
| 70 | A | B | -0.6414 | |
| 71 | V | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | D | B | -2.5143 | |
| 74 | L | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | K | B | -3.4140 | |
| 77 | K | B | -3.7424 | |
| 78 | Q | B | 0.0000 | |
| 79 | E | B | -3.7157 | |
| 80 | E | B | -4.1007 | |
| 81 | K | B | -4.0522 | |
| 82 | N | B | -3.6218 | |
| 83 | A | B | -2.6502 | |
| 84 | F | B | -0.9647 | |
| 85 | I | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | C | B | -0.2814 | |
| 90 | A | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | P | B | 0.0000 | |
| 93 | I | B | -0.8820 | |
| 94 | A | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | K | B | -1.1313 | |
| 97 | S | B | -0.6632 | |
| 98 | H | B | -0.8296 | |
| 99 | G | B | -0.9705 | |
| 100 | I | B | 0.0000 | |
| 101 | A | B | -1.8675 | |
| 102 | K | B | -2.5098 | |
| 103 | G | B | -2.1233 | |
| 104 | K | B | -2.2496 | |
| 105 | K | B | -2.0467 | |
| 106 | I | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | S | B | 0.0000 | |
| 109 | H | B | -1.2744 | |
| 110 | P | B | -1.2141 | |
| 111 | S | B | -0.9700 | |
| 112 | V | B | 0.0000 | |
| 113 | D | B | -2.2545 | |
| 114 | K | B | -3.0702 | |
| 115 | Q | B | -2.3958 | |
| 116 | L | B | 0.0000 | |
| 117 | K | B | -2.8474 | |
| 118 | E | B | -3.0105 | |
| 119 | A | B | -1.5094 | |
| 120 | G | B | -1.8874 | |
| 121 | Y | B | -2.0336 | |
| 122 | N | B | -2.1833 | |
| 123 | Y | B | -1.6658 | |
| 124 | S | B | -2.1417 | |
| 125 | E | B | -3.1491 | |
| 126 | D | B | -3.2210 | |
| 127 | R | B | -2.9999 | |
| 128 | V | B | -1.1948 | |
| 129 | V | B | 0.0000 | |
| 130 | V | B | 0.0884 | |
| 131 | D | B | -0.9837 | |
| 132 | G | B | -1.2185 | |
| 133 | K | B | -1.3777 | |
| 134 | L | B | 0.0000 | |
| 135 | M | B | 0.0000 | |
| 136 | T | B | 0.0000 | |
| 137 | S | B | 0.0000 | |
| 138 | R | B | -1.5613 | |
| 139 | G | B | 0.0000 | |
| 140 | P | B | -0.3008 | |
| 141 | G | B | -0.6937 | |
| 142 | T | B | 0.0000 | |
| 143 | T | B | 0.0000 | |
| 144 | F | B | 0.1042 | |
| 145 | E | B | -0.6255 | |
| 146 | F | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 0.3186 | |
| 149 | A | B | 0.3250 | |
| 150 | I | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | E | B | -0.5497 | |
| 153 | I | B | 0.7204 | |
| 154 | L | B | 0.8288 | |
| 155 | V | B | 0.9168 | |
| 156 | G | B | -0.7130 | |
| 157 | K | B | -2.3262 | |
| 158 | E | B | -2.5657 |
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