| Chain sequence(s) |
A: MVFTLEDFVGDWRQTAGYNLDQVLEQGGVSSLFQNLGVSVTPIQRIVLSGENGLKIDIHVIIPYEGLSGDQMGQIEKIFKVVYPVDDHHFKVILHYGTLVIDGVTPNMIDYFGRPYEGIAVFDGKKITVTGTLWNGNKIIDERLINPDGSLLFRVTINGVTGWRLCERILA
B: MVFTLEDFVGDWRQTAGYNLDQVLEQGGVLFQNLGVSVTPIQRIVLSENGLKIDIHVIIPYEGLSGDQMGQIEKIFVYPVDDHHFKVILHYGTLVIDGVTPNMIDYFPYEGIAVFDGKKITVTGTLWNGNKIIDERLINPDGSLLFRVTINGVTGWRLCERILA 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 (00:02:53)
[INFO] Main: Simulation completed successfully. (00:02:55)
|
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 | 1.8152 | |
| 0 | V | A | 1.8796 | |
| 1 | F | A | 0.6684 | |
| 2 | T | A | -0.4391 | |
| 3 | L | A | -0.6551 | |
| 4 | E | A | -1.4793 | |
| 5 | D | A | -1.1443 | |
| 6 | F | A | 0.0000 | |
| 7 | V | A | -0.3381 | |
| 8 | G | A | -0.5479 | |
| 9 | D | A | -0.9664 | |
| 10 | W | A | 0.0000 | |
| 11 | R | A | -1.9103 | |
| 12 | Q | A | -0.8747 | |
| 13 | T | A | -0.4787 | |
| 14 | A | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | Y | A | 0.1221 | |
| 17 | N | A | -0.7105 | |
| 18 | L | A | -1.3384 | |
| 19 | D | A | -2.9216 | |
| 20 | Q | A | -2.4565 | |
| 21 | V | A | 0.0000 | |
| 22 | L | A | -1.8155 | |
| 23 | E | A | -2.7587 | |
| 24 | Q | A | -2.1291 | |
| 25 | G | A | 0.0000 | |
| 26 | G | A | -0.6368 | |
| 27 | V | A | -0.4300 | |
| 28 | S | A | 0.0000 | |
| 29 | S | A | -1.3408 | |
| 30 | L | A | -0.3253 | |
| 31 | F | A | 0.0000 | |
| 32 | Q | A | -1.5358 | |
| 33 | N | A | -1.5954 | |
| 34 | L | A | -0.7004 | |
| 35 | G | A | -0.7343 | |
| 36 | V | A | -0.0912 | |
| 37 | S | A | -0.0370 | |
| 38 | V | A | 0.3702 | |
| 39 | T | A | -0.0425 | |
| 40 | P | A | 0.0000 | |
| 41 | I | A | -0.6026 | |
| 42 | Q | A | 0.0000 | |
| 43 | R | A | -1.3669 | |
| 44 | I | A | 0.0000 | |
| 45 | V | A | 0.4935 | |
| 46 | L | A | 0.4031 | |
| 47 | S | A | -0.3663 | |
| 48 | G | A | -1.4073 | |
| 49 | E | A | -2.3760 | |
| 50 | N | A | -2.0349 | |
| 51 | G | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -0.1741 | |
| 54 | I | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | H | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.8289 | |
| 60 | I | A | 0.0000 | |
| 61 | P | A | 0.0000 | |
| 62 | Y | A | -0.2027 | |
| 63 | E | A | -0.8902 | |
| 64 | G | A | 0.0000 | |
| 65 | L | A | -0.3421 | |
| 66 | S | A | -0.9087 | |
| 67 | G | A | -1.4156 | |
| 68 | D | A | -2.1310 | |
| 69 | Q | A | -1.3355 | |
| 70 | M | A | -1.2344 | |
| 71 | G | A | -1.8000 | |
| 72 | Q | A | -1.9557 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -2.4171 | |
| 75 | K | A | -2.6717 | |
| 76 | I | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | K | A | -2.0274 | |
| 79 | V | A | 0.1646 | |
| 80 | V | A | 0.3035 | |
| 81 | Y | A | 0.8763 | |
| 82 | P | A | -0.1148 | |
| 83 | V | A | -0.1051 | |
| 84 | D | A | -2.1787 | |
| 85 | D | A | -2.6074 | |
| 86 | H | A | -1.8147 | |
| 87 | H | A | -0.8134 | |
| 88 | F | A | 0.0000 | |
| 89 | K | A | 0.4296 | |
| 90 | V | A | 0.0000 | |
| 91 | I | A | 0.6005 | |
| 92 | L | A | 0.0000 | |
| 93 | H | A | 0.0000 | |
| 94 | Y | A | 0.0196 | |
| 95 | G | A | 0.0000 | |
| 96 | T | A | 0.2395 | |
| 97 | L | A | 0.0000 | |
| 98 | V | A | 0.1522 | |
| 99 | I | A | 0.3234 | |
| 100 | D | A | 0.0359 | |
| 101 | G | A | 1.0162 | |
| 102 | V | A | 1.7504 | |
| 103 | T | A | 0.7812 | |
| 104 | P | A | 0.0367 | |
| 105 | N | A | 0.0000 | |
| 106 | M | A | 0.2118 | |
| 107 | I | A | 0.0000 | |
| 108 | D | A | -0.7508 | |
| 109 | Y | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | G | A | -0.8668 | |
| 112 | R | A | -1.2068 | |
| 113 | P | A | -0.9461 | |
| 114 | Y | A | 0.0000 | |
| 115 | E | A | -1.4436 | |
| 116 | G | A | 0.0000 | |
| 117 | I | A | 0.7820 | |
| 118 | A | A | 0.0000 | |
| 119 | V | A | 0.9428 | |
| 120 | F | A | -0.2653 | |
| 121 | D | A | -1.4414 | |
| 122 | G | A | -0.2970 | |
| 123 | K | A | -0.7834 | |
| 124 | K | A | -0.7429 | |
| 125 | I | A | 0.0000 | |
| 126 | T | A | 0.0262 | |
| 127 | V | A | 0.0000 | |
| 128 | T | A | -0.1555 | |
| 129 | G | A | 0.0000 | |
| 130 | T | A | -1.3222 | |
| 131 | L | A | 0.0000 | |
| 132 | W | A | -0.6108 | |
| 133 | N | A | -0.9832 | |
| 134 | G | A | -1.2568 | |
| 135 | N | A | -1.7495 | |
| 136 | K | A | -2.1285 | |
| 137 | I | A | 0.0000 | |
| 138 | I | A | -0.1845 | |
| 139 | D | A | 0.0000 | |
| 140 | E | A | -0.2127 | |
| 141 | R | A | 0.0000 | |
| 142 | L | A | -0.5080 | |
| 143 | I | A | 0.0057 | |
| 144 | N | A | -0.6006 | |
| 145 | P | A | -0.6552 | |
| 146 | D | A | -1.2654 | |
| 147 | G | A | -0.8129 | |
| 148 | S | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | L | A | -0.2787 | |
| 151 | F | A | 0.0000 | |
| 152 | R | A | -0.6834 | |
| 153 | V | A | 0.0000 | |
| 154 | T | A | -0.6792 | |
| 155 | I | A | 0.0000 | |
| 156 | N | A | -2.0438 | |
| 157 | G | A | -1.2318 | |
| 158 | V | A | -1.0182 | |
| 159 | T | A | -0.4285 | |
| 160 | G | A | 0.0000 | |
| 161 | W | A | -0.1338 | |
| 162 | R | A | -0.3625 | |
| 163 | L | A | 0.0000 | |
| 164 | C | A | 0.0000 | |
| 165 | E | A | -0.9349 | |
| 166 | R | A | -0.7425 | |
| 167 | I | A | 0.5250 | |
| 168 | L | A | 1.6299 | |
| 169 | A | A | 0.9817 | |
| -1 | M | B | 1.7423 | |
| 0 | V | B | 2.0310 | |
| 1 | F | B | 0.2921 | |
| 2 | T | B | -0.6759 | |
| 3 | L | B | -0.8441 | |
| 4 | E | B | -1.5871 | |
| 5 | D | B | -1.0610 | |
| 6 | F | B | 0.0000 | |
| 7 | V | B | -0.4027 | |
| 8 | G | B | -0.4613 | |
| 9 | D | B | -0.6889 | |
| 10 | W | B | 0.0000 | |
| 11 | R | B | -0.9684 | |
| 12 | Q | B | 0.0000 | |
| 13 | T | B | -0.2380 | |
| 14 | A | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | Y | B | -0.0474 | |
| 17 | N | B | -0.6186 | |
| 18 | L | B | -0.8256 | |
| 19 | D | B | -1.6247 | |
| 20 | Q | B | -1.9122 | |
| 21 | V | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | E | B | -2.6448 | |
| 24 | Q | B | -2.1588 | |
| 25 | G | B | 0.0000 | |
| 26 | G | B | -0.9020 | |
| 27 | V | B | -0.7003 | |
| 30 | L | B | -0.0666 | |
| 31 | F | B | -0.0453 | |
| 32 | Q | B | -1.5783 | |
| 33 | N | B | -1.0402 | |
| 34 | L | B | -0.2969 | |
| 35 | G | B | -0.4117 | |
| 36 | V | B | 0.0000 | |
| 37 | S | B | -0.0049 | |
| 38 | V | B | 0.6393 | |
| 39 | T | B | 0.1799 | |
| 40 | P | B | 0.0000 | |
| 41 | I | B | -0.0802 | |
| 42 | Q | B | 0.0000 | |
| 43 | R | B | -1.3265 | |
| 44 | I | B | 0.0000 | |
| 45 | V | B | 0.3800 | |
| 46 | L | B | 0.1753 | |
| 47 | S | B | -0.5515 | |
| 49 | E | B | -2.3431 | |
| 50 | N | B | -2.1280 | |
| 51 | G | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | K | B | -0.3614 | |
| 54 | I | B | 0.0000 | |
| 55 | D | B | 0.0000 | |
| 56 | I | B | 0.0000 | |
| 57 | H | B | 0.0000 | |
| 58 | V | B | 0.0000 | |
| 59 | I | B | 1.1199 | |
| 60 | I | B | 0.0000 | |
| 61 | P | B | 0.0000 | |
| 62 | Y | B | -0.5935 | |
| 63 | E | B | -1.4141 | |
| 64 | G | B | 0.0000 | |
| 65 | L | B | -0.5916 | |
| 66 | S | B | -1.0211 | |
| 67 | G | B | -1.4617 | |
| 68 | D | B | -2.2659 | |
| 69 | Q | B | -1.8514 | |
| 70 | M | B | -1.3039 | |
| 71 | G | B | -2.0570 | |
| 72 | Q | B | -2.0391 | |
| 73 | I | B | 0.0000 | |
| 74 | E | B | -2.1299 | |
| 75 | K | B | -2.3398 | |
| 76 | I | B | -0.7519 | |
| 77 | F | B | -0.1642 | |
| 80 | V | B | 1.4086 | |
| 81 | Y | B | 1.7586 | |
| 82 | P | B | 0.5688 | |
| 83 | V | B | 0.5815 | |
| 84 | D | B | -1.9325 | |
| 85 | D | B | -2.5486 | |
| 86 | H | B | -1.8285 | |
| 87 | H | B | -0.7536 | |
| 88 | F | B | 0.0000 | |
| 89 | K | B | 1.1212 | |
| 90 | V | B | 0.0000 | |
| 91 | I | B | 1.4189 | |
| 92 | L | B | 0.0000 | |
| 93 | H | B | 0.0000 | |
| 94 | Y | B | 0.3798 | |
| 95 | G | B | 0.0000 | |
| 96 | T | B | 0.0492 | |
| 97 | L | B | 0.0000 | |
| 98 | V | B | -0.4258 | |
| 99 | I | B | 0.0000 | |
| 100 | D | B | -0.3045 | |
| 101 | G | B | 0.6517 | |
| 102 | V | B | 1.6246 | |
| 103 | T | B | 0.6639 | |
| 104 | P | B | -0.0569 | |
| 105 | N | B | 0.0000 | |
| 106 | M | B | 0.2092 | |
| 107 | I | B | 0.0000 | |
| 108 | D | B | -0.4539 | |
| 109 | Y | B | 0.3677 | |
| 110 | F | B | 0.5341 | |
| 113 | P | B | -0.3554 | |
| 114 | Y | B | 0.0000 | |
| 115 | E | B | -1.4473 | |
| 116 | G | B | 0.0000 | |
| 117 | I | B | 0.7361 | |
| 118 | A | B | 0.0000 | |
| 119 | V | B | 0.7915 | |
| 120 | F | B | -0.4564 | |
| 121 | D | B | -1.9423 | |
| 122 | G | B | -0.7907 | |
| 123 | K | B | -1.1985 | |
| 124 | K | B | -0.9749 | |
| 125 | I | B | 0.0000 | |
| 126 | T | B | 0.0419 | |
| 127 | V | B | 0.0000 | |
| 128 | T | B | -0.2473 | |
| 129 | G | B | -0.9078 | |
| 130 | T | B | -1.2430 | |
| 131 | L | B | 0.0000 | |
| 132 | W | B | 0.1648 | |
| 133 | N | B | -0.6720 | |
| 134 | G | B | -1.1837 | |
| 135 | N | B | -1.9228 | |
| 136 | K | B | -2.3107 | |
| 137 | I | B | 0.0000 | |
| 138 | I | B | -0.2004 | |
| 139 | D | B | 0.0000 | |
| 140 | E | B | -0.0751 | |
| 141 | R | B | 0.0000 | |
| 142 | L | B | -0.2290 | |
| 143 | I | B | -0.2168 | |
| 144 | N | B | 0.0000 | |
| 145 | P | B | -0.5537 | |
| 146 | D | B | -1.1394 | |
| 147 | G | B | -0.8822 | |
| 148 | S | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | L | B | -0.1035 | |
| 151 | F | B | 0.0000 | |
| 152 | R | B | -0.3761 | |
| 153 | V | B | 0.0000 | |
| 154 | T | B | -0.6558 | |
| 155 | I | B | 0.0000 | |
| 156 | N | B | -2.1986 | |
| 157 | G | B | -1.1674 | |
| 158 | V | B | -0.8249 | |
| 159 | T | B | -0.3829 | |
| 160 | G | B | 0.0000 | |
| 161 | W | B | -0.0750 | |
| 162 | R | B | -0.2469 | |
| 163 | L | B | 0.0000 | |
| 164 | C | B | 0.0000 | |
| 165 | E | B | -0.7038 | |
| 166 | R | B | -0.5422 | |
| 167 | I | B | 0.9822 | |
| 168 | L | B | 1.6938 | |
| 169 | A | B | 1.0046 |
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