3NEC

crystal structure of toxoplasma gondii profilin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 48
  • Norm. En. per Res.: -2.2346
• 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	8.0612	-71.447	-63.3858	46	0	0	3107	0	29	27
A-C	-24.9241	10.5083	-92.8466	-107.2625	48	3	0	3341	0	17	33
B-C	0.0	9.5424	-1.4768	8.0656	18	0	0	229	0	6	11
B-D	0.0	17.0502	-87.0139	-69.9637	49	3	0	3244	0	16	35
C-D	-8.6076	47.1109	-95.1861	-56.6828	66	1	0	4369	1	32	39

Interface residues

• A-B: ALA33A, ALA34A, ALA70A, ALA82B, ARG148B, ARG97B, ASN68A, ASN84B, ASP28A, ASP39A, ASP3A, ASP40A, ASP48A, ASP49A, ASP5A, ASP78B, ASP79B, GLU103B, GLU99B, GLY101B, GLY41A, GLY80B, GLY85B, ILE111B, LEU45A, LYS100B, LYS144B, LYS44A, LYS47A, LYS92B, LYS94B, PHE102B, PHE32A, PRO6A, PRO83B, PRO98B, SER2A, SER43A, SER81B, TRP42A, TRP4A, TYR46A, VAL30A, VAL31A, VAL95B, VAL96B
• A-C: ALA153C, ALA70A, ALA75A, ASN146C, ASN68A, ASN84A, ASP14C, ASP28A, ASP48A, ASP49A, ASP53A, ASP79A, CYS62A, GLN160C, GLU10C, GLU141C, GLU156C, GLU51A, GLU52A, GLU69A, GLY16C, GLY63A, HIS50A, ILE55A, ILE67A, LEU12C, LYS64A, LYS74A, LYS9C, PHE154C, PRO6C, PRO83A, SER150C, SER161C, SER66A, SER71A, THR149C, THR15C, THR54A, THR72A, TRP11C, TYR157C, TYR17C, TYR46A, VAL13C, VAL65A, VAL7C, VAL8C
• B-C: ARG148B, ARG148C, ARG97B, ARG97C, ASN105B, ASN105C, ASN146B, ASN146C, ASP143B, ASP143C, GLY145B, GLY145C, LYS144B, LYS144C, THR149B, THR149C, TYR17B, TYR17C
• B-D: ALA153B, ALA70D, ALA75D, ASN68D, ASN84D, ASP14B, ASP28D, ASP48D, ASP49D, ASP53D, ASP79D, CYS62D, GLN160B, GLU10B, GLU141B, GLU156B, GLU27D, GLU51D, GLU52D, GLU69D, GLY-2D, GLY16B, GLY63D, HIS50D, ILE55D, ILE67D, LEU12B, LYS64D, LYS74D, LYS9B, PHE154B, PRO6B, PRO83D, SER150B, SER161B, SER66D, SER71D, THR149B, THR15B, THR54D, THR72D, TRP11B, TYR157B, TYR17B, TYR46D, VAL13B, VAL65D, VAL7B, VAL8B
• C-D: ALA115C, ALA33D, ALA34D, ALA70D, ALA82C, ARG116C, ARG148C, ARG97C, ASN68D, ASN84C, ASP28D, ASP39D, ASP3D, ASP40D, ASP48D, ASP49D, ASP58C, ASP5D, ASP78C, ASP79C, GLU103C, GLU10D, GLU57C, GLU69D, GLU99C, GLY-2D, GLY101C, GLY119C, GLY41D, GLY56C, GLY59C, GLY80C, GLY85C, HIS0D, ILE111C, ILE55C, LEU152C, LEU45D, LYS100C, LYS118C, LYS144C, LYS47D, LYS92C, LYS94C, PHE102C, PHE32D, PRO6D, PRO83C, PRO98C, SER-1D, SER117C, SER161D, SER2D, SER43D, SER81C, TRP11D, TRP42D, TRP4D, TYR157D, TYR163D, TYR46D, VAL30D, VAL31D, VAL7D, VAL95C, VAL96C