Table 2.
Summary of subunit-subunit interfaces1
| Chains | Number of residues in interface2 | Interface Area (Å2) | ΔiG kcal/mol3 | Hydrogen Bonds | Salt Bridges | CSS4 | |
|---|---|---|---|---|---|---|---|
| CXCL12 CXC dimer | A, sym | 48 | 1103.2 | −4.1 | 22 | 0 | 1.00 |
| CXCL12 CC dimer 1 | A, B | 45 | 889.2 | −9.3 | 12 | 0 | 1.00 |
| CXCL12 CC dimer 2 | C, D | 46 | 1015.9 | −5.7 | 21 | 0 | 1.00 |
| CXCL12 CC dimer 3 | E, F | 48 | 1101.0 | −4.1 | 22 | 0 | 1.00 |
| CXCL12 CC dimer 4 | G, H | 45 | 977.4 | −6.8 | 19 | 0 | 1.00 |
| CXCL12 CC dimer 5 | I, J | 52 | 1299.8 | −8.9 | 20 | 1 | 1.00 |
| average of CC dimers | 47 | 1056.7 | −7.0 | 19 | <1 | 1.00 | |
| between CC dimers 1 | B,C | 49 | 842.0 | −9.1 | 4 | 0 | 0.27 |
| between CC dimers 2 | D,E | 33 | 531.0 | −8.5 | 3 | 0 | 0.00 |
| between CC dimers 3 | F,G | 42 | 780.2 | −5.2 | 6 | 0 | 1.00 |
| between CC dimers 4 | H,I | 42 | 854.0 | −10.7 | 8 | 0 | 1.00 |
| between CC dimers 5 | A, J sym | 38 | 624.5 | −8.8 | 3 | 0 | 0.15 |
| average between dimers | 41 | 726.3 | −8.5 | 5 | 0 | 0.48 | |
1
Calculated using the Protein interfaces, surfaces and assemblies service PISA at European Bioinformatics Institute (http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html), authored by E. Krissinel and K. Henrick
2
Includes residues from both subunits
3
Corresponds to solvation free energy from hydrophobic forces. This does not include satisfied hydrogen bonds and salt bridges
4
Complexation Significance Score, which indicates how significant for assembly formation the interface is.