3JTC

importance of mg2+ in the ca2+-dependent folding of the gamma- carboxyglutamic acid domains of vitamin k-dependent clotting and anticlotting proteins

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 35
  • Norm. En. per Res.: -2.5806
• 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	0.0	-0.0083	-5.5491	-5.5574	8	0	0	251	0	3	3
A-C	0.0	0.0	-83.3373	-83.3373	35	0	3	3477	0	3	4
B-D	0.0	0.0	-90.3214	-90.3214	35	1	4	3507	0	3	4

Interface residues

• A-B: ARG20A, ASP21A, GLU106B, GLY107B, HIS24A, PRO105B, SER108B, TYR23A
• A-C: ALA153A, ALA1C, ARG156A, ARG81A, ARG87A, ARG9C, ASN155A, ASN2C, ASP23C, GLN149A, GLN150A, GLN75A, GLN85A, GLU86A, GLY78A, HIS10C, HIS77A, HIS84A, LEU151A, LEU5C, LEU74A, LEU79A, LEU82A, LEU8C, PHE146A, PHE4C, PHE76A, SER3C, SER71A, THR157A, TYR154A, TYR23A, TYR72A, VAL80A, VAL83A
• B-D: ALA153B, ALA1D, ARG156B, ARG158B, ARG81B, ARG9D, ASN155B, ASN2D, ASP23D, GLN149B, GLN150B, GLN75B, GLN85B, GLU86B, GLY78B, HIS10D, HIS77B, HIS84B, LEU151B, LEU5D, LEU74B, LEU79B, LEU82B, LEU8D, PHE146B, PHE4D, PHE76B, SER3D, SER71B, THR157B, TYR154B, TYR23B, TYR72B, VAL80B, VAL83B