2AKQ

the structure of bovine b-lactoglobulin a in crystals grown at very low ionic strength

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 69
  • Norm. En. per Res.: -2.2411
• 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	-50.7719	27.1636	-131.028	-154.6363	69	5	5	5787	7	28	18
A-C	-10.0722	-20.6224	-33.2408	-63.9353	35	2	0	2216	1	15	10
A-D	0.0	-3.0543	-0.72	-3.7743	9	0	0	111	0	8	8

Interface residues

• A-B: ALA23A, ALA23B, ALA25A, ALA25B, ALA26A, ALA26B, ALA34A, ALA34B, ALA37A, ALA37B, ARG148A, ARG148B, ARG40A, ARG40B, ASN152A, ASN152B, ASP137A, ASP137B, ASP28A, ASP28B, ASP33A, ASP33B, GLN115A, GLN115B, GLN155A, GLN155B, GLN35A, GLN35B, GLU134A, GLU134B, HIS146A, HIS146B, ILE147A, ILE147B, ILE29A, ILE29B, LEU133A, LEU133B, LEU140A, LEU140B, LEU149A, LEU149B, LEU22A, LEU22B, LEU32A, LEU32B, LYS138B, LYS141A, LYS141B, MET145A, MET145B, MET24A, MET24B, PHE151A, PHE151B, PRO153A, PRO153B, SER150A, SER150B, SER27A, SER27B, SER30A, SER30B, SER36A, SER36B, TYR42A, TYR42B, VAL128A, VAL128B
• A-C: ARG124A, ASN90C, CYS160A, GLN155A, GLN159A, GLN59A, GLU157A, GLU158A, GLU44A, GLU45A, GLU74C, ILE78C, LEU122A, LEU156A, LEU57A, LEU58A, LYS75C, LYS77C, LYS83C, LYS91C, PRO126A, PRO153A, PRO79C, SER110C, SER21A, THR125A, THR154A, THR18A, THR76C, TRP19A, TYR20A, TYR42A, VAL123A, VAL43A, VAL81C
• A-D: ASP53D, GLN5A, GLU51D, GLU74D, GLY9A, ILE72D, LYS75D, LYS77D, LYS8A