3POG

crystal structure of the masp-1 cub2 domain bound to ca2+

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 36
  • Norm. En. per Res.: -3.1243
• 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	-16.889	-25.92	-46.4737	-89.2828	35	4	0	1913	4	11	10
A-C	-40.1659	-26.8623	-45.4472	-112.4754	36	6	0	1912	4	9	9
B-C	-13.7548	1.12	-50.9155	-63.5503	36	5	0	1978	3	9	10

Interface residues

• A-B: ASN169B, ASN185B, ASN264A, ASN264B, ASN268A, ASP182B, ASP217A, ASP226A, ASP263A, CYS166B, CYS193B, GLU192B, GLU216A, GLU220A, GLU267A, GLU267B, GLY266A, GLY266B, HIS218A, LYS189A, LYS189B, PRO181B, PRO186B, PRO188B, PRO219A, PRO224A, SER167B, SER190B, SER191B, SER262A, SER265A, SER265B, TYR187B, TYR225A, VAL221A
• A-C: ASN185A, ASN264A, ASN264C, ASN268C, ASP182A, ASP217C, ASP226C, ASP263A, ASP263C, CYS166A, CYS193A, GLU216C, GLU220C, GLU267A, GLU267C, GLY266A, GLY266C, HIS218C, LYS189A, LYS189C, PRO181A, PRO186A, PRO188A, PRO219C, PRO224C, SER167A, SER190A, SER191A, SER262A, SER262C, SER265A, SER265C, TYR187A, TYR187C, TYR225C, VAL221C
• B-C: ASN185C, ASN264B, ASN264C, ASN268B, ASP182C, ASP217B, ASP226B, ASP263B, ASP263C, CYS166C, CYS193C, GLU192C, GLU216B, GLU220B, GLU267B, GLU267C, GLY266B, GLY266C, HIS218B, LYS189B, LYS189C, PRO181C, PRO186C, PRO188C, PRO219B, PRO224B, SER167C, SER190C, SER191C, SER262C, SER265B, SER265C, TYR187B, TYR187C, TYR225B, VAL221B