2NPM

crystal structure of cryptosporidium parvum 14-3-3 protein in complex with peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -2.4505
• 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-X	-20.9096	0.0	-67.75	-88.6596	45	2	5	3409	0	3	3
A-B	-26.1913	7.4085	-255.678	-274.4608	112	12	12	10162	10	38	37
B-Y	-26.5529	0.0	-65.8781	-92.431	41	2	5	3030	0	3	3

Interface residues

• A-X: ALA1003X, ALA200A, ALA217A, ARG1002X, ARG157A, ARG251A, ARG84A, ARG88A, ASN202A, ASN253A, ASN78A, ASP154A, ASP242A, ASP252A, GLN248A, GLU209A, GLY198A, ILE1004X, ILE195A, ILE246A, LEU1006X, LEU197A, LEU199A, LEU201A, LEU245A, LEU249A, LEU250A, LEU254A, LEU256A, LYS150A, LYS77A, PHE147A, PHE203A, PHE206A, PRO1007X, PRO194A, SER204A, SER243A, SER73A, TRP257A, TYR158A, TYR179A, TYR208A, VAL205A, VAL74A
• A-B: ALA102A, ALA102B, ALA105A, ALA105B, ALA118A, ALA118B, ALA27A, ALA27B, ALA35A, ALA35B, ALA38A, ALA38B, ALA41A, ALA41B, ARG113A, ARG113B, ARG43A, ARG43B, ARG83A, ARG83B, ARG84A, ARG84B, ARG88A, ARG88B, ASN26A, ASN26B, ASN31A, ASN31B, ASP104A, ASP104B, CYS109A, CYS109B, GLN40A, GLN40B, GLU117A, GLU117B, GLU119A, GLU119B, GLU29A, GLU29B, GLU39A, GLU39B, GLU42A, GLU42B, GLU46A, GLU46B, GLU94A, GLU94B, GLU97A, GLU97B, GLY110A, GLY110B, HIS98A, HIS98B, ILE123A, ILE123B, ILE89A, ILE89B, ILE90A, ILE90B, LEU120A, LEU120B, LEU37A, LEU37B, LYS107A, LYS107B, LYS111A, LYS111B, LYS115A, LYS115B, LYS36A, LYS36B, LYS49A, LYS49B, LYS96A, LYS96B, MET108A, MET108B, MET34A, MET34B, MET47A, MET47B, SER106A, SER106B, SER30A, SER30B, SER82A, SER82B, SER85A, SER85B, SER86A, SER86B, SER91A, SER91B, SER92A, SER92B, TRP87A, TRP87B, TYR112A, TYR112B, TYR33A, TYR33B, TYR44A, TYR44B, TYR50A, TYR50B, VAL116A, VAL116B, VAL32A, VAL32B, VAL93A, VAL93B
• B-Y: ALA1003Y, ALA200B, ARG1002Y, ARG157B, ARG84B, ARG88B, ASN202B, ASN253B, ASN78B, ASP154B, ASP242B, ASP252B, GLN248B, GLU209B, GLY198B, ILE1004Y, ILE195B, ILE246B, LEU1006Y, LEU197B, LEU199B, LEU201B, LEU245B, LEU249B, LEU250B, LEU254B, LEU256B, LYS150B, LYS77B, PHE147B, PHE203B, PHE206B, PRO1007Y, PRO194B, SER204B, SER73B, TRP257B, TYR158B, TYR208B, VAL205B, VAL74B