The created ATP-binding site at the pseudo-active site. Residues of the built P-loop (green) and grey residues (11 positions in total) were selected for the side-chain design. The residues changed from the original sequence by the design are denoted with characters: the P-loop was built at the residue positions 151–158 with the amino acid sequence GPPGAGKS; the Walker-B motif coordinating magnesium ion was built with Glu248; the nucleotide-binding pocket was made with Ala159 and Ser339. The typical features of P-loops are shown at the left bottom. Orientation: the vector from the C atom of the last strand residue immediately before the P-loop to the C atom of the conserved Lys points away from the vector from the C atom of the same last strand residue to its C atom. Backbone torsion pattern: the residues in P-loops have the typical backbone torsion pattern, represented by ABEGO 31 torsion bins in conformational space defined using / backbone dihedral angles: EBBGAGAA (the torsion bins A and B are the -helix and -sheet regions; G and E are the positive regions). Amino acid sequence: the P-loop is identified by the conserved sequence GX 1 X 2 X 3 X 4 GK(T/S). In addition, this motif has an additional conserved residue Gly at X 3 , indicated by a star. The torsion pattern and amino acid sequence logos were created by WebLogo 32 .
