3KYP

crystal structure of nucleosome assembly protein s (pfnaps) from plasmodium falciparum

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 123
  • Norm. En. per Res.: -4.1451
• 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	-41.4849	-39.8991	-424.085	-505.469	123	38	14	17500	5	68	54
A-C	0.0	0.0	-1.1817	-1.1817	4	0	0	58	0	0	0
A-D	0.0	0.0	-0.0035	-0.0035	2	0	0	2	0	2	0
C-D	-25.6929	-26.2661	-457.885	-509.8439	123	37	9	18343	6	69	59
C-E	0.0	11.273	-31.3944	-20.1214	24	0	0	1321	1	20	11
C-F	0.0	0.0	-0.0014	-0.0014	2	0	0	1	0	2	1
E-F	-14.4551	-14.8709	-436.352	-465.6779	126	24	10	16878	4	63	60

Interface residues

• A-B: ALA48A, ALA48B, ARG69A, ARG69B, ASN211A, ASN211B, ASN53A, ASN53B, ASP32A, ASP32B, ASP35A, ASP35B, ASP39A, ASP39B, ASP44A, ASP44B, ASP59A, ASP59B, ASP70A, ASP70B, CYS47A, CYS47B, GLN31A, GLN31B, GLN37A, GLN37B, GLN42A, GLN42B, GLN51A, GLN51B, GLN55A, GLN55B, GLN57A, GLN57B, GLN74A, GLU207B, GLU34A, GLU34B, GLU41A, GLU41B, GLU50A, GLU50B, GLU60A, GLU60B, GLU67A, GLU67B, GLU71A, GLU71B, HIS210A, HIS210B, HIS49A, HIS49B, ILE208A, ILE208B, ILE36A, ILE36B, ILE40A, ILE40B, ILE45A, ILE45B, ILE54A, ILE54B, ILE72A, ILE72B, ILE73A, ILE73B, ILE76A, ILE76B, LEU213A, LEU213B, LEU217A, LEU217B, LEU43A, LEU43B, LEU65A, LEU65B, LYS38A, LYS38B, LYS46A, LYS46B, LYS56A, LYS56B, LYS61A, LYS61B, LYS62A, LYS62B, LYS63A, LYS63B, LYS68A, LYS68B, LYS75A, LYS75B, MET30A, MET30B, MET52A, MET52B, PHE29A, PHE29B, PHE33A, PHE33B, PHE66A, PHE66B, PHE79A, PHE79B, PRO212A, PRO212B, PRO64A, PRO64B, PRO77A, PRO77B, SER214A, SER214B, THR83A, THR83B, TRP209A, TRP209B, TRP80A, TRP80B, TYR215B, TYR216A, TYR216B, TYR58A, TYR58B
• A-C: ALA167C, GLU67A, LYS63A, PRO64A
• A-D: ASP196D, LYS128A
• C-D: ALA48C, ALA48D, ARG69C, ARG69D, ASN211C, ASN211D, ASN53C, ASN53D, ASP32C, ASP32D, ASP35C, ASP35D, ASP39C, ASP39D, ASP44C, ASP44D, ASP59C, ASP59D, ASP70C, ASP70D, CYS47C, CYS47D, GLN31C, GLN31D, GLN37C, GLN37D, GLN42C, GLN42D, GLN51C, GLN51D, GLN55C, GLN55D, GLN57C, GLN57D, GLN74C, GLN74D, GLU34C, GLU34D, GLU41C, GLU41D, GLU50C, GLU50D, GLU60C, GLU60D, GLU67C, GLU67D, GLU71C, GLU71D, HIS210C, HIS210D, HIS49C, HIS49D, ILE208C, ILE208D, ILE36C, ILE36D, ILE40C, ILE40D, ILE45C, ILE45D, ILE54C, ILE54D, ILE72C, ILE72D, ILE73C, ILE73D, ILE76C, ILE76D, LEU213C, LEU213D, LEU217C, LEU217D, LEU43C, LEU43D, LEU65C, LEU65D, LYS38C, LYS38D, LYS46C, LYS46D, LYS56C, LYS56D, LYS61C, LYS61D, LYS62C, LYS62D, LYS63C, LYS63D, LYS68C, LYS68D, LYS75C, LYS75D, MET30C, MET30D, MET52C, MET52D, PHE29C, PHE29D, PHE33C, PHE33D, PHE66C, PHE66D, PHE79C, PHE79D, PRO212C, PRO212D, PRO64C, PRO64D, PRO77C, PRO77D, SER214C, SER214D, THR83C, THR83D, TRP209C, TRP209D, TRP80C, TRP80D, TYR215C, TYR216C, TYR216D, TYR58C, TYR58D
• C-E: ALA129C, ARG156C, ASN164C, ASP32E, ASP35E, ASP39E, GLN31E, GLN42E, GLU131C, GLU161C, GLU34E, GLY162C, ILE157C, ILE36E, LYS128C, LYS130C, LYS158C, LYS160C, LYS38E, LYS46E, MET133C, PHE132C, PHE29E, TRP159C
• C-F: GLU71F, LYS158C
• E-F: ALA48E, ALA48F, ARG69E, ARG69F, ASN112E, ASN115E, ASN116E, ASN211E, ASN211F, ASN53E, ASN53F, ASP111E, ASP114E, ASP32E, ASP32F, ASP35E, ASP35F, ASP39E, ASP39F, ASP44E, ASP44F, ASP59E, ASP59F, ASP70E, ASP70F, CYS47E, CYS47F, GLN31E, GLN31F, GLN37E, GLN37F, GLN42E, GLN42F, GLN51E, GLN51F, GLN55E, GLN55F, GLN57E, GLN57F, GLN74E, GLN74F, GLU34E, GLU34F, GLU41E, GLU41F, GLU50E, GLU50F, GLU60E, GLU60F, GLU67E, GLU67F, GLU71E, GLU71F, HIS210E, HIS210F, HIS49E, HIS49F, ILE208E, ILE208F, ILE36E, ILE36F, ILE40E, ILE40F, ILE45E, ILE45F, ILE54E, ILE54F, ILE72E, ILE72F, ILE73E, ILE73F, ILE76E, ILE76F, LEU213E, LEU213F, LEU217E, LEU217F, LEU43E, LEU43F, LEU65E, LEU65F, LYS38E, LYS38F, LYS46E, LYS46F, LYS56E, LYS56F, LYS61E, LYS61F, LYS62E, LYS62F, LYS63E, LYS63F, LYS68E, LYS68F, LYS75E, LYS75F, MET30E, MET30F, MET52E, MET52F, PHE29E, PHE33E, PHE33F, PHE66E, PHE66F, PHE79E, PHE79F, PRO212E, PRO212F, PRO64E, PRO64F, PRO77E, PRO77F, SER214E, SER214F, THR83E, THR83F, TRP209E, TRP209F, TRP80E, TRP80F, TYR216E, TYR216F, TYR58E, TYR58F