Table 3.

Vina Score and amino acids associated with vitamin B12—protein interactions.

	Cyanocobalamin		Aqua Cobalamin
	Vina Score	Amino Acids Interacting	Vina Score	Amino Acids Interacting
Casein	−5.9	ASP184, VAL186, ILE187, ARG189, PRO214, THR219, ALA220, GLU223, ASP284, ILE351, LYS358, TYR359, PRO389, ASP390, LEU393, ASP394	−4.4	SER344, VAL345, ARG346, VAL349, ARG353, VAL373, GLN377, GLY629, ASN633, ASP634, GLU635, GLU792, GLU793, ARG794, PHE795, GLU796, GLN797, ASN798
myoglobin	−5.1	PHE44, LYS46, PHE47, ASP61, HIS65, THR68, ALA72, ALA85, HIS89, HIS98	−5.2	ARG32, LEU33, GLY36, HIS37, LYS103, GLU106, PHE107, ILE108, ASP110, ALA111, ILE113, HIS114, HIS117, GLN129
Egg Albumin	−6.5	VAL222, LYS223, TYR246, MET319, GLU320, GLU322, PHE323, LYS457, LYS464, LEU468, ARG472, ALA475, TYR480, ILE483, VAL484	−5.6	GLU43, GLU44, LYS47, MET51, TYR63, SER67, LYS68, VAL70, LYS71, ASP75, GLN78, ASN158, VAL160, SER161, HIS165
Gluten	−7.1	PRO46, ASP174, VAL177, LEU46, ARG123, VAL168, LEU170, PRO187, GLN188, PRO189, LEU190, LYS191	−7.5	HIS10, GLN44, LEU101, PHE103, PRO120, ARG123, ASP166, HIS167, VAL168, GLU169, LEU170, SER171, GLU178, VAL179, HIS180, SER181, GLY182, VAL183, CYS184, THR185, ASP186, PRO187, GLN188, PRO189, LEU203, TYR228
Rice	−8.1	ARG199, HIS200, ARG201, PHE203, PHE204, ILE211, LEU215, GLU219, ASP222, SER224, ASN226, VAL227	−6.7	TRP34, GLN35, SER36, SER37, ARG38, ARG39, GLY40, SER41, GLU44, CYS45, ARG46, PHE47, CYS78, THR79, TYR190, ILE371, ASN372, HIS374, ASN391, GLN411, HIS412, HIS413