Calculation Parameters
| Chain Sequence(s) |
MQLVQSGPEVKKPGTSVKVSCKASGFTFTSSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSGGSCFDGFDIWGQGTMVTVSSEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGFPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGNSPWTFGQGTKVEIR
input.pdb
|
| Selected Chain(s) | O (Heavy), P (Light) |
| Distance of Aggregation | 10 Å |
| FoldX Energy Minimization | Yes |
| pH Calculations | Yes |
| Downloads | Download all data (.tar.gz) |
Aggrescan4D Profile
Per-Residue A4D Scores
Download CSVResidues with A4D score > 0.0 are highlighted as aggregation-prone.
| Index | Residue | Chain | A4D Score | Classification |
|---|---|---|---|---|
| 2 | M | O | 0.4350 | Aggregation-prone |
| 3 | Q | O | -0.7646 | Soluble |
| 4 | L | O | 0.0000 | Buried |
| 5 | V | O | -0.4803 | Soluble |
| 6 | Q | O | 0.0000 | Buried |
| 7 | S | O | -0.7427 | Soluble |
| 8 | G | O | -0.4364 | Soluble |
| 9 | P | O | -0.1606 | Soluble |
| 11 | E | O | -0.2163 | Soluble |
| 12 | V | O | 0.8877 | Aggregation-prone |
| 13 | K | O | -0.8932 | Soluble |
| 14 | K | O | -1.9047 | Soluble |
| 15 | P | O | -1.8013 | Soluble |
| 16 | G | O | -1.2466 | Soluble |
| 17 | T | O | -0.4569 | Soluble |
| 18 | S | O | -0.5421 | Soluble |
| 19 | V | O | -0.6473 | Soluble |
| 20 | K | O | -1.5336 | Soluble |
| 21 | V | O | 0.0000 | Buried |
| 22 | S | O | -0.4731 | Soluble |
| 23 | C | O | 0.0000 | Buried |
| 24 | K | O | -1.1980 | Soluble |
| 25 | A | O | 0.0000 | Buried |
| 26 | S | O | -0.5174 | Soluble |
| 27 | G | O | -0.2248 | Soluble |
| 28 | F | O | 0.0534 | Aggregation-prone |
| 29 | T | O | -0.1724 | Soluble |
| 30 | F | O | 0.0515 | Aggregation-prone |
| 35 | T | O | -0.1355 | Soluble |
| 36 | S | O | -0.3930 | Soluble |
| 37 | S | O | -0.1459 | Soluble |
| 38 | A | O | -0.0147 | Soluble |
| 39 | V | O | 0.0000 | Buried |
| 40 | Q | O | 0.0000 | Buried |
| 41 | W | O | 0.0000 | Buried |
| 42 | V | O | 0.0000 | Buried |
| 43 | R | O | -0.9372 | Soluble |
| 44 | Q | O | 0.0000 | Buried |
| 45 | A | O | 0.0000 | Buried |
| 46 | R | O | -2.6939 | Soluble |
| 47 | G | O | -2.1538 | Soluble |
| 48 | Q | O | -2.6527 | Soluble |
| 49 | R | O | -2.2248 | Soluble |
| 50 | L | O | 0.0000 | Buried |
| 51 | E | O | -1.1009 | Soluble |
| 52 | W | O | 0.0000 | Buried |
| 53 | I | O | 0.0000 | Buried |
| 54 | G | O | 0.0000 | Buried |
| 55 | W | O | 0.0016 | Aggregation-prone |
| 56 | I | O | 0.0000 | Buried |
| 57 | V | O | -0.5669 | Soluble |
| 58 | V | O | 0.0000 | Buried |
| 59 | G | O | -1.0012 | Soluble |
| 62 | S | O | -1.2695 | Soluble |
| 63 | G | O | -1.5677 | Soluble |
| 64 | N | O | -1.6851 | Soluble |
| 65 | T | O | -0.9850 | Soluble |
| 66 | N | O | -1.3021 | Soluble |
| 67 | Y | O | -1.3311 | Soluble |
| 68 | A | O | 0.0000 | Buried |
| 69 | Q | O | -2.6034 | Soluble |
| 70 | K | O | -3.0411 | Soluble |
| 71 | F | O | -2.4482 | Soluble |
| 72 | Q | O | -3.2398 | Soluble |
| 74 | E | O | -3.4921 | Soluble |
| 75 | R | O | -2.7245 | Soluble |
| 76 | V | O | -1.0645 | Soluble |
| 77 | T | O | -0.6154 | Soluble |
| 78 | I | O | -0.1255 | Soluble |
| 79 | T | O | -0.7009 | Soluble |
| 80 | R | O | -1.7651 | Soluble |
| 81 | D | O | -0.9934 | Soluble |
| 82 | M | O | 0.1068 | Aggregation-prone |
| 83 | S | O | -0.2733 | Soluble |
| 84 | T | O | -0.2600 | Soluble |
| 85 | S | O | -0.5005 | Soluble |
| 86 | T | O | 0.0000 | Buried |
| 87 | A | O | 0.0000 | Buried |
| 88 | Y | O | -0.5499 | Soluble |
| 89 | M | O | 0.0000 | Buried |
| 90 | E | O | -0.4431 | Soluble |
| 91 | L | O | 0.0170 | Aggregation-prone |
| 92 | S | O | 0.0000 | Buried |
| 93 | S | O | -0.8215 | Soluble |
| 94 | L | O | -0.9785 | Soluble |
| 95 | R | O | -2.3992 | Soluble |
| 96 | S | O | -2.3636 | Soluble |
| 97 | E | O | -2.5290 | Soluble |
| 98 | D | O | -1.5778 | Soluble |
| 99 | T | O | -0.9126 | Soluble |
| 100 | A | O | 0.0000 | Buried |
| 101 | V | O | 0.0000 | Buried |
| 102 | Y | O | 0.0000 | Buried |
| 103 | Y | O | 0.0000 | Buried |
| 104 | C | O | 0.0000 | Buried |
| 105 | A | O | 0.0000 | Buried |
| 106 | A | O | 0.0000 | Buried |
| 107 | P | O | 0.0000 | Buried |
| 108 | Y | O | 0.3500 | Aggregation-prone |
| 109 | C | O | 0.0000 | Buried |
| 110 | S | O | -0.4153 | Soluble |
| 111 | G | O | -0.7950 | Soluble |
| 111A | G | O | -0.7256 | Soluble |
| 112B | S | O | -0.4660 | Soluble |
| 112A | C | O | 0.0076 | Aggregation-prone |
| 112 | F | O | -0.1735 | Soluble |
| 113 | D | O | -0.9048 | Soluble |
| 114 | G | O | 0.0000 | Buried |
| 115 | F | O | 0.0000 | Buried |
| 116 | D | O | -0.5811 | Soluble |
| 117 | I | O | -0.1580 | Soluble |
| 118 | W | O | -0.5870 | Soluble |
| 119 | G | O | 0.0000 | Buried |
| 120 | Q | O | -1.4822 | Soluble |
| 121 | G | O | -0.8928 | Soluble |
| 122 | T | O | 0.0000 | Buried |
| 123 | M | O | 0.3474 | Aggregation-prone |
| 124 | V | O | 0.3645 | Aggregation-prone |
| 125 | T | O | -0.2082 | Soluble |
| 126 | V | O | 0.0000 | Buried |
| 127 | S | O | -0.8914 | Soluble |
| 128 | S | O | -0.6785 | Soluble |
| 1 | E | P | -1.1659 | Soluble |
| 2 | I | P | 0.6154 | Aggregation-prone |
| 3 | V | P | 1.4014 | Aggregation-prone |
| 4 | L | P | 0.0000 | Buried |
| 5 | T | P | 0.1395 | Aggregation-prone |
| 6 | Q | P | 0.0000 | Buried |
| 7 | S | P | -0.4091 | Soluble |
| 8 | P | P | -0.3204 | Soluble |
| 9 | G | P | -0.6174 | Soluble |
| 10 | T | P | -0.4393 | Soluble |
| 11 | L | P | 0.3559 | Aggregation-prone |
| 12 | S | P | -0.4780 | Soluble |
| 13 | L | P | -0.5625 | Soluble |
| 14 | S | P | -0.9413 | Soluble |
| 15 | P | P | -1.4738 | Soluble |
| 16 | G | P | -2.0699 | Soluble |
| 17 | E | P | -2.0074 | Soluble |
| 18 | R | P | -2.4508 | Soluble |
| 19 | A | P | -1.3368 | Soluble |
| 20 | T | P | -0.6449 | Soluble |
| 21 | L | P | 0.0000 | Buried |
| 22 | S | P | -0.5003 | Soluble |
| 23 | C | P | 0.0000 | Buried |
| 24 | R | P | -0.6289 | Soluble |
| 25 | A | P | 0.0000 | Buried |
| 26 | S | P | -0.4939 | Soluble |
| 27 | Q | P | -1.4046 | Soluble |
| 28 | S | P | -0.9255 | Soluble |
| 29 | V | P | -0.5391 | Soluble |
| 30 | S | P | -0.3719 | Soluble |
| 36 | S | P | -0.2184 | Soluble |
| 37 | S | P | -0.0162 | Soluble |
| 38 | Y | P | 0.4210 | Aggregation-prone |
| 39 | L | P | 0.0000 | Buried |
| 40 | A | P | 0.0000 | Buried |
| 41 | W | P | 0.0000 | Buried |
| 42 | Y | P | 0.0000 | Buried |
| 43 | Q | P | -0.8704 | Soluble |
| 44 | Q | P | 0.0000 | Buried |
| 45 | K | P | -1.2915 | Soluble |
| 46 | P | P | -1.2696 | Soluble |
| 47 | G | P | -1.7074 | Soluble |
| 48 | Q | P | -2.1192 | Soluble |
| 49 | A | P | -1.5048 | Soluble |
| 50 | P | P | 0.0000 | Buried |
| 51 | R | P | -1.9693 | Soluble |
| 52 | L | P | 0.0000 | Buried |
| 53 | L | P | 0.0000 | Buried |
| 54 | I | P | 0.0000 | Buried |
| 55 | Y | P | -0.0639 | Soluble |
| 56 | G | P | 0.0000 | Buried |
| 57 | A | P | 0.0000 | Buried |
| 65 | S | P | -0.3572 | Soluble |
| 66 | S | P | -0.4311 | Soluble |
| 67 | R | P | -0.6723 | Soluble |
| 68 | A | P | -0.2438 | Soluble |
| 69 | T | P | -0.3131 | Soluble |
| 70 | G | P | -0.5841 | Soluble |
| 71 | F | P | -0.3008 | Soluble |
| 72 | P | P | -1.4220 | Soluble |
| 74 | D | P | -2.6887 | Soluble |
| 75 | R | P | -2.9235 | Soluble |
| 76 | F | P | -1.6102 | Soluble |
| 77 | S | P | -1.0723 | Soluble |
| 78 | G | P | -0.4120 | Soluble |
| 79 | S | P | -0.6634 | Soluble |
| 80 | G | P | -0.9200 | Soluble |
| 83 | S | P | -1.0124 | Soluble |
| 84 | G | P | -1.1426 | Soluble |
| 85 | T | P | -1.2678 | Soluble |
| 86 | D | P | -1.5138 | Soluble |
| 87 | F | P | 0.0000 | Buried |
| 88 | T | P | -0.6112 | Soluble |
| 89 | L | P | 0.0000 | Buried |
| 90 | T | P | -1.0217 | Soluble |
| 91 | I | P | 0.0000 | Buried |
| 92 | S | P | -2.2722 | Soluble |
| 93 | R | P | -3.0345 | Soluble |
| 94 | L | P | -2.4493 | Soluble |
| 95 | E | P | -2.3011 | Soluble |
| 96 | P | P | -1.8852 | Soluble |
| 97 | E | P | -2.1953 | Soluble |
| 98 | D | P | 0.0000 | Buried |
| 99 | F | P | -1.0010 | Soluble |
| 100 | A | P | 0.0000 | Buried |
| 101 | V | P | -0.4065 | Soluble |
| 102 | Y | P | -0.4551 | Soluble |
| 103 | Y | P | 0.0000 | Buried |
| 104 | C | P | 0.0000 | Buried |
| 105 | Q | P | 0.0000 | Buried |
| 106 | Q | P | 0.0000 | Buried |
| 107 | Y | P | 0.0000 | Buried |
| 108 | G | P | -0.4358 | Soluble |
| 109 | N | P | -0.9474 | Soluble |
| 114 | S | P | -0.9009 | Soluble |
| 115 | P | P | -0.8123 | Soluble |
| 116 | W | P | -0.3190 | Soluble |
| 117 | T | P | -0.2000 | Soluble |
| 118 | F | P | 0.0000 | Buried |
| 119 | G | P | 0.0000 | Buried |
| 120 | Q | P | -1.3347 | Soluble |
| 121 | G | P | -1.0466 | Soluble |
| 122 | T | P | 0.0000 | Buried |
| 123 | K | P | -1.1985 | Soluble |
| 124 | V | P | 0.0000 | Buried |
| 125 | E | P | -1.4562 | Soluble |
| 126 | I | P | -0.2348 | Soluble |
| 127 | R | P | -1.4393 | Soluble |
3D Structure — colored by A4D score
pH-Dependent Aggregation Profiles
A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.
| pH | Avg A4D Score | Max A4D Score | Downloads |
|---|---|---|---|
| 4.0 | -0.7346 | 2.0484 | CSV PDB |
| 4.5 | -0.7762 | 2.0086 | CSV PDB |
| 5.0 | -0.8263 | 1.9506 | CSV PDB |
| 5.5 | -0.8758 | 1.8851 | CSV PDB |
| 6.0 | -0.9156 | 1.8239 | CSV PDB |
| 6.5 | -0.9388 | 1.7789 | CSV PDB |
| 7.0 | -0.9438 | 1.7573 | CSV PDB |
| 7.5 | -0.936 | 1.7553 | CSV PDB |
| 8.0 | -0.9213 | 1.7634 | CSV PDB |
| 8.5 | -0.9019 | 1.7754 | CSV PDB |
| 9.0 | -0.8782 | 1.7886 | CSV PDB |