A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations
Figure 5
Contacts in 1KBH structure: NCBD bound with ACTR [40].
The top panel contains intra-protein contacts of NCBD: contacts shown in blue involve helix II, while contacts in green do not. The bottom panel contains the inter-protein contacts. Contacts shown in red involve helix II of NCBD, while those in solid orange involve helix I or helix III. Contacts shown in outline involve only non-helical regions of NCBD. A pair of residues is considered to be in contact if any pair of non-hydrogen atoms from the two residues are within 4.5 Å of one another.