Interpolating between structure d1apy.1.pdb and d2dk4a1.pdb

Intermediate structures are calculated by linearly interpolating distance matrices of the aligned parts of superimposed conformers. Subsequently, the intermediate structures are optimized by energy gradient minimization employing a reduced representation force field. Thus, in contrast to a simple morphing, the structure changes can be interpolated or extrapolated while preserving protein-like geometry of intermediate structures and internal structure of the rigid elements of both proteins.

10 intermediate model structures are generated (download structures)
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