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The other existing algorithm for interface alignment is MAPPIS, which uses an all-atom representation of protein interfaces and optimizes the alignment of interface regions with similar physico-chemical properties (Shulman-Peleg and Shatsky, 2005).
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We compared the alignment of interfaces from the different methods (Galinter, I2I-SiteEngine, and DaliLite) by examining the deviation of Cα atom coordinates of interface residues after corresponding transformations.
It is shown that the interaction between such a simplified numerical treatment of the viscous terms and the alignment of the cell interfaces with the coordinate system can result in an erroneous (non-physical) calculation of the pressure field.
Thus we have explored the contribution of short-range electrostatic interactions to the alignment of protein-protein interfaces.
This construct maintains alignment of the conserved leucines in the C/EBP LZ (Leu/hydrophobic amino acid every seven residues) with Leu142 and Ala135 in Helix 2 of Arnt that may be involved in the hydrophobic interface: hence, this hybrid was intended to mimic the bHLHZ structure of Max, in particular, the alignment of the hydrophobic dimerization interface.
A subsequent alignment of interface residues can be derived based on the most significant DaliLite alignment of subunit structures as detailed in Figure S6 in the supplement.
A fast method based on the alignment of diffraction spots perpendicular to interfaces (Δg condition) is proposed, to account for the experimental orientation relationships and interface planes.
A critical next step of this is the alignment of protein complexes and their interfaces.
This allows optimal alignment of interface specificity sites, without producing energetically costly conformational changes, essential for high-affinity binding.
The alignment of liquid crystalline molecules at the interface between liquid crystal and polyimide surface was investigated on the basis of an optical second-harmonic generation method.
There could be two possible explanation for this behavior, firstly, the birefringence arises due to the inherent semi-crystalline nature of cellulose derivatives and secondly, this could be a result of structural birefringence induced due to the alignment of polymer molecules at the air water interface under freezing and subsequent drying through sublimation [ 32].
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