3K44

crystal structure of drosophila melanogaster pur-alpha

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 90
  • Norm. En. per Res.: -2.834
• 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	-17.3956	-45.5593	-187.957	-250.9119	91	1	4	7603	2	14	18
A-D	0.0	-12.9649	-43.4016	-56.3665	34	3	1	2338	0	13	10
B-D	-13.9766	-8.0059	-50.2896	-72.2721	36	4	0	2748	2	18	19
C-D	-17.6508	-53.7087	-183.697	-255.0566	90	1	4	7457	2	14	19

Interface residues

• A-B: ALA105A, ALA105B, ALA165A, ALA165B, ALA174A, ALA174B, ALA76A, ALA76B, ARG142A, ARG142B, ARG144A, ARG144B, ARG172A, ARG172B, ARG55A, ARG55B, ARG94A, ARG94B, ASN111A, ASN111B, ASP102A, ASP102B, ASP173A, ASP173B, ASP177A, ASP177B, GLN166A, GLN166B, GLN50A, GLN50B, GLN52A, GLN52B, GLU170A, GLU170B, GLU180A, GLU180B, GLY108A, GLY108B, GLY143A, GLY143B, GLY167A, GLY167B, ILE169A, ILE169B, ILE51A, ILE51B, LEU107A, LEU107B, LEU175A, LEU175B, LEU178A, LEU178B, LEU179A, LEU179B, LEU49A, LEU49B, LEU97A, LEU97B, LYS47A, LYS47B, LYS54A, LYS54B, MET168A, MET168B, MET48A, MET48B, PHE171A, PHE171B, PHE56A, PHE56B, PRO109A, PRO109B, PRO110A, PRO110B, PRO164A, PRO164B, SER101A, SER101B, SER106A, SER106B, SER53A, SER53B, SER98A, SER98B, THR112A, THR176A, THR176B, TYR103A, TYR103B, TYR104A, TYR104B
• A-D: ALA141A, ARG131D, ARG132D, ARG142A, ARG154D, ARG158D, ASN111A, ASN114A, ASN140A, ASP113A, ASP118A, ASP129D, GLU117A, GLU139A, GLY119A, GLY143A, GLY155D, GLY156D, ILE127D, ILE152D, LEU115A, LYS120A, LYS128D, LYS138A, MET125D, MET126D, PRO109A, PRO110A, PRO116A, THR112A, THR151D, THR153D, TYR130D, TYR134D
• B-D: ALA105D, ALA45B, ARG64B, ARG67B, ASP102D, ASP136D, ASP177B, GLN42B, GLN62B, GLU124D, GLU180B, GLU181B, GLU41B, GLU43B, GLY119D, HIS96D, LEU107D, LEU121D, LEU135D, LEU137D, LEU178B, LEU44B, LYS120D, LYS122D, LYS47B, LYS61B, MET125D, PHE100D, PHE182B, SER106D, SER123D, SER99D, THR46B, TYR103D, TYR104D, VAL60B
• C-D: ALA105C, ALA105D, ALA165C, ALA165D, ALA174C, ALA174D, ALA76C, ALA76D, ARG142C, ARG142D, ARG144C, ARG144D, ARG172C, ARG172D, ARG55C, ARG55D, ARG94C, ARG94D, ASN111C, ASN111D, ASP102C, ASP102D, ASP173C, ASP173D, ASP177C, ASP177D, GLN166C, GLN166D, GLN50C, GLN50D, GLN52C, GLN52D, GLU170C, GLU170D, GLU180C, GLU180D, GLY108C, GLY108D, GLY143C, GLY143D, GLY167C, GLY167D, ILE169C, ILE169D, ILE51C, ILE51D, LEU107C, LEU107D, LEU175C, LEU175D, LEU178C, LEU178D, LEU179C, LEU179D, LEU49C, LEU49D, LEU97C, LEU97D, LYS47C, LYS47D, LYS54C, LYS54D, MET168C, MET168D, MET48C, MET48D, PHE171C, PHE171D, PHE56C, PHE56D, PRO109C, PRO109D, PRO110C, PRO110D, PRO164C, PRO164D, SER101C, SER101D, SER106C, SER106D, SER53C, SER53D, SER98C, SER98D, THR176C, THR176D, TYR103C, TYR103D, TYR104C, TYR104D