2VGG

human erythrocyte pyruvate kinase: r479h mutant

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -4.4885
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-113.8364	-59.0127	-347.063	-519.9121	124	29	7	16239	5	45	41
A-C	-136.5692	-127.8846	-679.029	-943.4828	262	57	19	32250	12	124	88
A-D	0.0	0.0	-0.0656	-0.0656	7	0	0	31	0	2	2
B-C	0.0	22.6734	-3.0802	19.5932	9	0	0	118	0	4	5
B-D	-134.5166	-125.4291	-648.024	-907.9697	254	40	17	31217	13	116	85
C-D	-116.7746	-37.4164	-388.915	-543.1059	121	37	7	16811	4	44	39

Interface residues

• A-B: ALA444A, ALA444B, ALA445A, ALA445B, ALA456A, ALA456B, ALA459A, ALA459B, ALA462A, ALA462B, ALA463A, ALA463B, ALA468A, ALA468B, ALA469A, ALA469B, ALA470B, ALA66A, ALA66B, ARG435A, ARG435B, ARG442A, ARG442B, ARG443A, ARG443B, ARG449A, ARG449B, ARG486A, ARG486B, ARG547B, ARG569A, ARG569B, ASN566A, ASN566B, ASP450A, ASP450B, ASP550A, ASP550B, ASP67A, ASP67B, CYS466A, CYS466B, CYS467A, CYS467B, GLN436A, GLN436B, GLU439A, GLU439B, GLU440A, GLU440B, GLU453A, GLU453B, GLU461A, GLU461B, GLU71A, GLY458A, GLY458B, GLY549A, GLY549B, ILE457A, ILE457B, ILE553A, ILE553B, ILE567A, ILE567B, ILE573A, ILE573B, LEU441A, LEU441B, LEU447A, LEU447B, LEU551A, LEU551B, LEU571A, LEU571B, LEU61B, LYS465A, LYS465B, MET568A, MET568B, MET65A, PHE438A, PHE438B, PHE464A, PHE464B, PHE69A, PRO446A, PRO446B, PRO451A, PRO451B, SER448A, SER448B, SER572A, SER572B, THR452A, THR452B, THR455A, THR455B, THR556A, THR556B, THR565A, THR565B, THR68A, THR68B, TRP558A, TRP558B, TYR433A, TYR433B, TYR487A, TYR487B, VAL454A, VAL454B, VAL460A, VAL460B, VAL548A, VAL548B, VAL552A, VAL552B, VAL554A, VAL554B, VAL555A, VAL555B, VAL570A, VAL570B
• A-C: ALA336A, ALA336C, ALA346A, ALA346C, ALA352A, ALA352C, ALA363A, ALA363C, ALA370A, ALA370C, ALA386A, ALA386C, ALA392A, ALA392C, ALA394A, ALA394C, ALA423A, ALA423C, ALA425A, ALA425C, ALA428A, ALA428C, ALA430A, ALA430C, ALA431A, ALA431C, ALA444A, ALA444C, ALA445A, ALA445C, ALA63C, ARG103C, ARG216A, ARG216C, ARG322A, ARG337A, ARG337C, ARG359A, ARG359C, ARG382A, ARG382C, ARG385A, ARG385C, ARG426A, ARG426C, ARG442A, ARG442C, ARG443A, ARG443C, ARG486A, ARG486C, ARG488A, ASN242A, ASN242C, ASN253A, ASN253C, ASN316A, ASN316C, ASN361A, ASN361C, ASN393A, ASN393C, ASN412C, ASP220A, ASP220C, ASP221A, ASP221C, ASP324A, ASP324C, ASP339A, ASP339C, ASP390A, ASP390C, ASP397A, ASP397C, ASP67A, ASP67C, ASP77A, ASP77C, ASP79A, ASP79C, CYS360A, CYS360C, CYS369A, CYS369C, CYS74A, CYS74C, GLN353A, GLN353C, GLN372A, GLN372C, GLN421A, GLN421C, GLN436A, GLN436C, GLN58C, GLN59C, GLN60C, GLU241A, GLU241C, GLU318A, GLU318C, GLU343A, GLU343C, GLU347A, GLU347C, GLU375A, GLU375C, GLU387A, GLU387C, GLU407A, GLU416A, GLU416C, GLU427A, GLU427C, GLU429A, GLU429C, GLU439A, GLU439C, GLU440A, GLU440C, GLU71A, GLU71C, GLU81A, GLU81C, GLY222A, GLY222C, GLY243A, GLY243C, GLY244A, GLY244C, GLY319A, GLY338A, GLY338C, GLY341A, GLY341C, GLY358A, GLY358C, GLY364A, GLY398A, GLY398C, HIS317A, HIS317C, HIS422A, HIS422C, HIS72A, HIS72C, ILE219A, ILE224A, ILE224C, ILE314A, ILE342A, ILE342C, ILE344A, ILE344C, ILE357A, ILE357C, ILE378C, ILE424A, ILE424C, ILE78A, ILE78C, LEU223A, LEU223C, LEU340A, LEU340C, LEU351A, LEU351C, LEU362A, LEU362C, LEU374A, LEU374C, LEU396A, LEU396C, LEU437A, LEU437C, LEU441A, LEU441C, LEU70A, LEU70C, LEU73A, LEU73C, LEU75A, LEU75C, LEU76A, LEU76C, LYS179A, LYS179C, LYS321A, LYS321C, LYS348A, LYS348C, LYS354A, LYS354C, LYS380A, LYS380C, LYS419A, LYS419C, MET355A, MET355C, MET356A, MET356C, MET373A, MET373C, MET377A, MET377C, MET420A, MET420C, PHE323A, PHE323C, PHE350A, PHE350C, PHE413A, PHE413C, PHE69A, PHE69C, PRO255A, PRO255C, PRO345A, PRO345C, PRO381A, PRO381C, PRO383A, PRO383C, PRO82A, PRO82C, SER225A, SER225C, SER376A, SER376C, SER389A, SER389C, SER80A, SER80C, THR371A, THR371C, THR379A, THR379C, THR384A, THR384C, THR388A, THR388C, THR68A, THR68C, TYR218A, TYR218C, TYR433A, TYR433C, VAL245A, VAL245C, VAL320A, VAL320C, VAL335A, VAL335C, VAL349A, VAL349C, VAL391A, VAL391C, VAL395A, VAL395C, VAL432A, VAL432C
• A-D: ARG435A, ARG435D, ARG443A, ARG443D, ASP67A, THR68A, THR68D
• B-C: ARG435B, ARG435C, ARG443B, ARG443C, ASP67B, ASP67C, GLU71B, THR68B, THR68C
• B-D: ALA336B, ALA336D, ALA346B, ALA346D, ALA352B, ALA352D, ALA363B, ALA363D, ALA370B, ALA370D, ALA386B, ALA386D, ALA392B, ALA392D, ALA394B, ALA394D, ALA423B, ALA423D, ALA425B, ALA425D, ALA428B, ALA428D, ALA430B, ALA430D, ALA431B, ALA431D, ALA444B, ALA444D, ALA445B, ALA445D, ALA63D, ARG216B, ARG216D, ARG322D, ARG337B, ARG337D, ARG359B, ARG359D, ARG382B, ARG382D, ARG385B, ARG385D, ARG426B, ARG426D, ARG435B, ARG442B, ARG442D, ARG443B, ARG443D, ARG486B, ARG486D, ARG488D, ASN242B, ASN242D, ASN253B, ASN253D, ASN316B, ASN316D, ASN361B, ASN361D, ASN393B, ASN393D, ASP220B, ASP220D, ASP221B, ASP221D, ASP324B, ASP324D, ASP339B, ASP339D, ASP390B, ASP390D, ASP397B, ASP397D, ASP67B, ASP77B, ASP79B, ASP79D, CYS360B, CYS360D, CYS369B, CYS74B, CYS74D, GLN353B, GLN353D, GLN372B, GLN372D, GLN421B, GLN421D, GLN436B, GLN436D, GLN60B, GLU241B, GLU318B, GLU318D, GLU343B, GLU343D, GLU347B, GLU347D, GLU375B, GLU375D, GLU387B, GLU387D, GLU416B, GLU416D, GLU427B, GLU427D, GLU429B, GLU429D, GLU439B, GLU439D, GLU440B, GLU440D, GLU71B, GLU71D, GLU81B, GLU81D, GLY222B, GLY222D, GLY243B, GLY243D, GLY244B, GLY244D, GLY319B, GLY319D, GLY338B, GLY338D, GLY341B, GLY341D, GLY358B, GLY358D, GLY364B, GLY364D, GLY398B, GLY398D, HIS317B, HIS317D, HIS422B, HIS422D, HIS72B, HIS72D, ILE224B, ILE224D, ILE314D, ILE342B, ILE342D, ILE344B, ILE344D, ILE357B, ILE357D, ILE378D, ILE424B, ILE424D, ILE78B, ILE78D, LEU223B, LEU223D, LEU340B, LEU340D, LEU351B, LEU351D, LEU362B, LEU362D, LEU374B, LEU374D, LEU396B, LEU396D, LEU437B, LEU437D, LEU441B, LEU441D, LEU70B, LEU70D, LEU73B, LEU73D, LEU75B, LEU75D, LEU76B, LEU76D, LYS179B, LYS179D, LYS321B, LYS321D, LYS348B, LYS348D, LYS354B, LYS354D, LYS380B, LYS380D, LYS419B, LYS419D, MET355B, MET355D, MET356B, MET356D, MET373B, MET373D, MET377B, MET377D, MET420B, MET420D, PHE323B, PHE323D, PHE350B, PHE350D, PHE413B, PHE413D, PHE438D, PHE69B, PHE69D, PRO345B, PRO345D, PRO381B, PRO381D, PRO383B, PRO383D, PRO82B, PRO82D, SER225B, SER225D, SER376B, SER376D, SER389B, SER389D, SER80B, SER80D, THR371B, THR371D, THR379B, THR379D, THR384B, THR384D, THR388B, THR388D, THR68B, THR68D, TYR218B, TYR218D, TYR433B, TYR433D, VAL245B, VAL245D, VAL320B, VAL320D, VAL335B, VAL335D, VAL349B, VAL349D, VAL391B, VAL391D, VAL395B, VAL395D, VAL432B, VAL432D
• C-D: ALA444C, ALA444D, ALA445C, ALA445D, ALA456C, ALA456D, ALA459C, ALA459D, ALA462C, ALA462D, ALA463C, ALA463D, ALA468C, ALA468D, ALA469C, ALA469D, ALA470C, ALA470D, ALA66C, ARG435C, ARG435D, ARG442C, ARG442D, ARG443C, ARG443D, ARG449C, ARG449D, ARG486C, ARG486D, ARG547C, ARG547D, ARG569C, ARG569D, ASN566C, ASN566D, ASP450C, ASP450D, ASP550C, ASP550D, ASP67C, CYS466C, CYS466D, CYS467C, CYS467D, GLN436C, GLN436D, GLU439C, GLU439D, GLU440C, GLU440D, GLU453C, GLU453D, GLU461C, GLU461D, GLY458C, GLY458D, GLY549C, GLY549D, ILE457C, ILE457D, ILE553C, ILE553D, ILE567C, ILE567D, ILE573C, ILE573D, LEU441C, LEU441D, LEU447C, LEU447D, LEU551C, LEU551D, LEU571C, LEU571D, LEU61C, LYS465C, LYS465D, MET568C, MET568D, PHE438C, PHE438D, PHE464C, PHE464D, PRO446C, PRO446D, PRO451C, PRO451D, SER448C, SER448D, SER572C, SER572D, THR452C, THR452D, THR455C, THR455D, THR556C, THR556D, THR565C, THR565D, THR68C, THR68D, TRP558C, TRP558D, TYR433C, TYR433D, TYR487C, TYR487D, VAL454C, VAL454D, VAL460C, VAL460D, VAL548C, VAL548D, VAL552C, VAL552D, VAL554C, VAL554D, VAL555C, VAL555D, VAL570C, VAL570D