2EB6

crystal structure of hpcg complexed with mg ion

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 72
  • Norm. En. per Res.: -1.8093
• Hub Node: A(2)

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	-2.6541	-0.1169	-112.308	-115.0791	71	2	3	4802	0	17	20
A-E	-2.8702	-5.0144	-107.568	-115.4527	71	0	3	4760	0	18	20
B-C	-12.1091	-4.6589	-113.502	-130.27	72	4	3	5124	0	19	19
C-D	0.0	-4.8734	-107.679	-112.5524	70	1	3	4690	0	18	20
D-E	-6.8047	-3.441	-107.573	-117.8188	69	1	3	4812	0	19	19

Interface residues

• A-B: ALA110A, ALA114A, ALA130B, ALA137A, ALA205B, ALA212B, ALA216B, ARG176A, ARG186B, ASN121B, ASN129B, ASN209B, ASN213B, ASN220B, ASN258A, ASP126B, ASP132A, ASP181B, ASP184B, ASP255A, ASP85A, ASP91A, ASP94A, CYS122B, GLU182A, GLU182B, GLY174A, GLY175A, GLY232A, GLY257A, GLY260A, GLY92A, HIS210B, HIS253A, HIS90A, ILE135A, ILE178A, ILE234A, ILE262A, LEU113A, LEU124B, LEU173A, LEU183B, LEU185B, LEU208B, LYS179A, LYS58A, LYS67B, MET259A, PHE125B, PHE88A, PRO120B, PRO136A, PRO177A, PRO180B, PRO211B, SER261A, SER263A, SER93A, THR123B, THR131B, THR56A, TRP187B, TRP217B, TYR128B, TYR133A, TYR256A, VAL112A, VAL127B, VAL134A, VAL254A
• A-E: ALA110E, ALA114E, ALA130A, ALA137E, ALA205A, ALA212A, ALA216A, ARG176E, ARG186A, ARG265E, ASN121A, ASN129A, ASN209A, ASN213A, ASN220A, ASN258E, ASP126A, ASP132E, ASP181A, ASP184A, ASP255E, ASP85E, ASP91E, ASP94E, CYS122A, GLU182A, GLU182E, GLY174E, GLY175E, GLY232E, GLY257E, GLY260E, GLY92E, HIS210A, HIS253E, HIS90E, ILE135E, ILE178E, ILE234E, ILE262E, LEU113E, LEU124A, LEU173E, LEU183A, LEU185A, LEU208A, LYS179E, LYS58E, LYS67A, MET259E, PHE125A, PHE88E, PRO120A, PRO136E, PRO177E, PRO180A, PRO211A, SER261E, SER263E, SER93E, THR123A, THR131A, THR56E, TRP187A, TRP217A, TYR128A, TYR133E, TYR256E, VAL112E, VAL127A, VAL134E
• B-C: ALA110B, ALA114B, ALA130C, ALA137B, ALA205C, ALA212C, ALA216C, ARG176B, ARG186C, ASN121C, ASN129C, ASN209C, ASN213C, ASN220C, ASN258B, ASP126C, ASP132B, ASP181C, ASP184C, ASP255B, ASP85B, ASP91B, ASP94B, CYS122C, GLU182B, GLU182C, GLU77C, GLY174B, GLY175B, GLY232B, GLY257B, GLY260B, GLY92B, HIS210C, HIS253B, HIS90B, ILE135B, ILE178B, ILE234B, ILE262B, LEU113B, LEU124C, LEU173B, LEU183C, LEU185C, LEU208C, LYS115C, LYS179B, LYS58B, LYS67C, MET259B, PHE125C, PHE88B, PRO120C, PRO136B, PRO177B, PRO180C, PRO211C, SER261B, SER263B, SER93B, THR123C, THR131C, THR56B, TRP187C, TRP217C, TYR128C, TYR133B, TYR256B, VAL112B, VAL127C, VAL134B
• C-D: ALA110C, ALA114C, ALA130D, ALA137C, ALA205D, ALA212D, ALA216D, ARG176C, ARG186D, ARG265C, ASN121D, ASN129D, ASN209D, ASN213D, ASN220D, ASN258C, ASP126D, ASP132C, ASP181D, ASP184D, ASP255C, ASP85C, ASP91C, ASP94C, CYS122D, GLU182C, GLU182D, GLY174C, GLY175C, GLY232C, GLY257C, GLY260C, GLY92C, HIS210D, HIS253C, HIS90C, ILE135C, ILE178C, ILE234C, ILE262C, LEU113C, LEU124D, LEU173C, LEU183D, LEU185D, LEU208D, LYS179C, LYS58C, LYS67D, MET259C, PHE125D, PHE88C, PRO120D, PRO136C, PRO177C, PRO180D, PRO211D, SER261C, SER263C, SER93C, THR123D, THR56C, TRP187D, TRP217D, TYR128D, TYR133C, TYR256C, VAL112C, VAL127D, VAL134C
• D-E: ALA110D, ALA114D, ALA130E, ALA137D, ALA205E, ALA212E, ALA216E, ARG176D, ARG186E, ASN121E, ASN129E, ASN209E, ASN213E, ASN220E, ASN258D, ASP126E, ASP132D, ASP181E, ASP184E, ASP255D, ASP85D, ASP91D, ASP94D, GLU182D, GLU182E, GLY174D, GLY175D, GLY232D, GLY257D, GLY260D, GLY92D, HIS210E, HIS253D, HIS90D, ILE135D, ILE178D, ILE234D, ILE262D, LEU113D, LEU124E, LEU173D, LEU183E, LEU185E, LEU208E, LYS179D, LYS58D, LYS67E, MET259D, PHE125E, PHE88D, PRO120E, PRO136D, PRO177D, PRO180E, PRO211E, SER261D, SER263D, SER93D, THR123E, THR131E, THR56D, TRP187E, TRP217E, TYR128E, TYR133D, TYR256D, VAL112D, VAL127E, VAL134D