| Chain sequence(s) |
A: METVITADVLRRGGVDVTRAGLAGNGPVTCSRNVVIKPDAAFTDAIKKDYDVIIRPGGMKGAESLAASSAVGDLLKKQEEKNAFIACICAAPIALKSHGIAKGKKITSHPSVDKQLKEAGYNYSEDRVVVDGKLMTSRGPGTTFEFALAIVEILVGKE
B: METVITADVLRRGGVDVTRAGLAGNGPVTCSRNVVIKPDAAFTDAIKKDYDVIIRPGGMKGAESLAASSAVGDLLKKQEEKNAFIACICAAPIALKSHGIAKGKKITSHPSVDKQLKEAGYNYSEDRVVVDGKLMTSRGPGTTFEFALAIVEILVGKE input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:02)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.0000 | |
| 2 | E | A | 0.0000 | |
| 3 | T | A | 0.0017 | |
| 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 | -1.7889 | |
| 12 | R | A | -2.0121 | |
| 13 | G | A | -0.9189 | |
| 14 | G | A | -1.1531 | |
| 15 | V | A | -1.0728 | |
| 16 | D | A | -2.1042 | |
| 17 | V | A | -1.0554 | |
| 18 | T | A | -0.9315 | |
| 19 | R | A | -1.2339 | |
| 20 | A | A | -0.8635 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.3220 | |
| 23 | A | A | -0.0319 | |
| 24 | G | A | -0.8563 | |
| 25 | N | A | -2.2029 | |
| 26 | G | A | -1.4586 | |
| 27 | P | A | -1.2773 | |
| 28 | V | A | -0.2697 | |
| 29 | T | A | -0.5023 | |
| 30 | C | A | -0.5850 | |
| 31 | S | A | -0.9065 | |
| 32 | R | A | -1.4817 | |
| 33 | N | A | -1.5719 | |
| 34 | V | A | -0.9363 | |
| 35 | V | A | -0.8610 | |
| 36 | I | A | 0.0000 | |
| 37 | K | A | -1.9697 | |
| 38 | P | A | 0.0000 | |
| 39 | D | A | -2.5073 | |
| 40 | A | A | -1.7136 | |
| 41 | A | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | T | A | -0.6185 | |
| 44 | D | A | -1.6177 | |
| 45 | A | A | -0.9514 | |
| 46 | I | A | -0.1321 | |
| 47 | K | A | -1.7909 | |
| 48 | K | A | -2.0156 | |
| 49 | D | A | -2.7095 | |
| 50 | Y | A | -1.6612 | |
| 51 | D | A | -2.0747 | |
| 52 | V | A | -0.5302 | |
| 53 | I | A | 0.0000 | |
| 54 | I | A | 0.2955 | |
| 55 | R | A | 0.0000 | |
| 56 | P | A | 0.0991 | |
| 57 | G | A | -0.3829 | |
| 58 | G | A | -0.5922 | |
| 59 | M | A | -0.4170 | |
| 60 | K | A | -2.0404 | |
| 61 | G | A | -1.3595 | |
| 62 | A | A | 0.0000 | |
| 63 | E | A | -2.2448 | |
| 64 | S | A | -1.2363 | |
| 65 | L | A | -0.6108 | |
| 66 | A | A | -0.9497 | |
| 67 | A | A | -0.5056 | |
| 68 | S | A | -0.4899 | |
| 69 | S | A | -0.6495 | |
| 70 | A | A | -0.4812 | |
| 71 | V | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | D | A | -2.5024 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | K | A | -3.5239 | |
| 77 | K | A | -3.9836 | |
| 78 | Q | A | 0.0000 | |
| 79 | E | A | -3.6823 | |
| 80 | E | A | -4.0644 | |
| 81 | K | A | -3.8650 | |
| 82 | N | A | -3.5277 | |
| 83 | A | A | -2.6079 | |
| 84 | F | A | -0.9448 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | C | A | -0.1845 | |
| 90 | A | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | I | A | -0.8466 | |
| 94 | A | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -1.2505 | |
| 97 | S | A | -0.6961 | |
| 98 | H | A | -0.8316 | |
| 99 | G | A | -0.9993 | |
| 100 | I | A | 0.0000 | |
| 101 | A | A | -1.8203 | |
| 102 | K | A | -2.4540 | |
| 103 | G | A | -2.0233 | |
| 104 | K | A | -2.0595 | |
| 105 | K | A | -1.8368 | |
| 106 | I | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | S | A | 0.0000 | |
| 109 | H | A | -1.2775 | |
| 110 | P | A | -1.1811 | |
| 111 | S | A | -0.9026 | |
| 112 | V | A | 0.0000 | |
| 113 | D | A | -2.2356 | |
| 114 | K | A | -3.1743 | |
| 115 | Q | A | -2.6353 | |
| 116 | L | A | 0.0000 | |
| 117 | K | A | -3.0168 | |
| 118 | E | A | -3.1393 | |
| 119 | A | A | -1.5754 | |
| 120 | G | A | -1.8991 | |
| 121 | Y | A | -1.9448 | |
| 122 | N | A | -2.0530 | |
| 123 | Y | A | -1.5073 | |
| 124 | S | A | 0.0000 | |
| 125 | E | A | -3.1451 | |
| 126 | D | A | -3.2747 | |
| 127 | R | A | -3.1548 | |
| 128 | V | A | -1.1387 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0879 | |
| 131 | D | A | -0.9772 | |
| 132 | G | A | -1.2198 | |
| 133 | K | A | -1.3976 | |
| 134 | L | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | R | A | -1.6145 | |
| 139 | G | A | 0.0000 | |
| 140 | P | A | -0.3334 | |
| 141 | G | A | -0.7609 | |
| 142 | T | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | F | A | 0.2334 | |
| 145 | E | A | -0.4016 | |
| 146 | F | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | L | A | 1.0773 | |
| 149 | A | A | 0.6330 | |
| 150 | I | A | 0.0000 | |
| 151 | V | A | 0.2450 | |
| 152 | E | A | -0.6051 | |
| 153 | I | A | 0.6116 | |
| 154 | L | A | 0.8331 | |
| 155 | V | A | 0.8456 | |
| 156 | G | A | -0.7638 | |
| 157 | K | A | -2.3310 | |
| 158 | E | A | -2.6027 | |
| 1 | M | B | 0.0000 | |
| 2 | E | B | 0.0000 | |
| 3 | T | B | 0.0017 | |
| 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 | -1.7889 | |
| 12 | R | B | -2.0121 | |
| 13 | G | B | -0.9189 | |
| 14 | G | B | -1.1531 | |
| 15 | V | B | -1.0728 | |
| 16 | D | B | -2.1042 | |
| 17 | V | B | -1.0554 | |
| 18 | T | B | -0.9315 | |
| 19 | R | B | -1.2339 | |
| 20 | A | B | -0.8635 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | 0.3220 | |
| 23 | A | B | -0.0319 | |
| 24 | G | B | -0.8563 | |
| 25 | N | B | -2.2029 | |
| 26 | G | B | -1.4586 | |
| 27 | P | B | -1.2773 | |
| 28 | V | B | -0.2697 | |
| 29 | T | B | -0.5023 | |
| 30 | C | B | -0.5850 | |
| 31 | S | B | -0.9065 | |
| 32 | R | B | -1.4817 | |
| 33 | N | B | -1.5719 | |
| 34 | V | B | -0.9363 | |
| 35 | V | B | -0.8610 | |
| 36 | I | B | 0.0000 | |
| 37 | K | B | -1.9697 | |
| 38 | P | B | 0.0000 | |
| 39 | D | B | -2.5073 | |
| 40 | A | B | -1.7136 | |
| 41 | A | B | 0.0000 | |
| 42 | F | B | 0.0000 | |
| 43 | T | B | -0.6187 | |
| 44 | D | B | -1.6176 | |
| 45 | A | B | -0.9513 | |
| 46 | I | B | -0.1321 | |
| 47 | K | B | -1.7909 | |
| 48 | K | B | -2.0158 | |
| 49 | D | B | -2.7096 | |
| 50 | Y | B | -1.6613 | |
| 51 | D | B | -2.0747 | |
| 52 | V | B | -0.5302 | |
| 53 | I | B | 0.0000 | |
| 54 | I | B | 0.2955 | |
| 55 | R | B | 0.0000 | |
| 56 | P | B | 0.0991 | |
| 57 | G | B | -0.3829 | |
| 58 | G | B | -0.5922 | |
| 59 | M | B | -0.4170 | |
| 60 | K | B | -2.0404 | |
| 61 | G | B | -1.3595 | |
| 62 | A | B | 0.0000 | |
| 63 | E | B | -2.2448 | |
| 64 | S | B | -1.2363 | |
| 65 | L | B | -0.6108 | |
| 66 | A | B | -0.9497 | |
| 67 | A | B | -0.5056 | |
| 68 | S | B | -0.4899 | |
| 69 | S | B | -0.6495 | |
| 70 | A | B | -0.4812 | |
| 71 | V | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | D | B | -2.5024 | |
| 74 | L | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | K | B | -3.5239 | |
| 77 | K | B | -3.9836 | |
| 78 | Q | B | 0.0000 | |
| 79 | E | B | -3.6823 | |
| 80 | E | B | -4.0644 | |
| 81 | K | B | -3.8650 | |
| 82 | N | B | -3.5277 | |
| 83 | A | B | -2.6079 | |
| 84 | F | B | -0.9448 | |
| 85 | I | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | C | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | C | B | -0.1845 | |
| 90 | A | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | P | B | 0.0000 | |
| 93 | I | B | -0.8466 | |
| 94 | A | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | K | B | -1.2505 | |
| 97 | S | B | -0.6961 | |
| 98 | H | B | -0.8316 | |
| 99 | G | B | -0.9993 | |
| 100 | I | B | 0.0000 | |
| 101 | A | B | -1.8203 | |
| 102 | K | B | -2.4540 | |
| 103 | G | B | -2.0233 | |
| 104 | K | B | -2.0595 | |
| 105 | K | B | -1.8368 | |
| 106 | I | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | S | B | 0.0000 | |
| 109 | H | B | -1.2775 | |
| 110 | P | B | -1.1811 | |
| 111 | S | B | -0.9026 | |
| 112 | V | B | 0.0000 | |
| 113 | D | B | -2.2356 | |
| 114 | K | B | -3.1743 | |
| 115 | Q | B | -2.6353 | |
| 116 | L | B | 0.0000 | |
| 117 | K | B | -3.0168 | |
| 118 | E | B | -3.1393 | |
| 119 | A | B | -1.5754 | |
| 120 | G | B | -1.8991 | |
| 121 | Y | B | -1.9448 | |
| 122 | N | B | -2.0530 | |
| 123 | Y | B | -1.5073 | |
| 124 | S | B | 0.0000 | |
| 125 | E | B | -3.1451 | |
| 126 | D | B | -3.2747 | |
| 127 | R | B | -3.1548 | |
| 128 | V | B | -1.1387 | |
| 129 | V | B | 0.0000 | |
| 130 | V | B | 0.0879 | |
| 131 | D | B | -0.9772 | |
| 132 | G | B | -1.2198 | |
| 133 | K | B | -1.3976 | |
| 134 | L | B | 0.0000 | |
| 135 | M | B | 0.0000 | |
| 136 | T | B | 0.0000 | |
| 137 | S | B | 0.0000 | |
| 138 | R | B | -1.6145 | |
| 139 | G | B | 0.0000 | |
| 140 | P | B | -0.3334 | |
| 141 | G | B | -0.7609 | |
| 142 | T | B | 0.0000 | |
| 143 | T | B | 0.0000 | |
| 144 | F | B | 0.2334 | |
| 145 | E | B | -0.4016 | |
| 146 | F | B | 0.0000 | |
| 147 | A | B | 0.0000 | |
| 148 | L | B | 1.0773 | |
| 149 | A | B | 0.6330 | |
| 150 | I | B | 0.0000 | |
| 151 | V | B | 0.2450 | |
| 152 | E | B | -0.6051 | |
| 153 | I | B | 0.6116 | |
| 154 | L | B | 0.8331 | |
| 155 | V | B | 0.8456 | |
| 156 | G | B | -0.7638 | |
| 157 | K | B | -2.3310 | |
| 158 | E | B | -2.6027 |
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