3KNP

crystal structure of dtd from plasmodium falciparum

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 157
  • Norm. En. per Res.: -4.4359
• 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	-196.7202	-2.1099	-497.61	-696.4402	157	33	5	20356	0	33	44
A-D	0.0	23.5223	-18.9781	4.5442	36	1	0	1108	3	25	28
A-E	-11.5622	0.0	-7.8625	-19.4247	10	0	0	287	0	4	1
B-D	0.0	-4.1781	-0.2997	-4.4777	7	0	0	54	0	6	4
B-E	-35.1651	-7.9804	-136.125	-179.2705	65	8	0	6275	3	44	47
B-F	0.0	-4.5936	-0.4488	-5.0424	7	0	0	65	0	3	6
C-D	-144.3259	-3.4321	-492.045	-639.803	155	32	6	20041	0	33	42
E-F	-155.0766	3.7812	-492.48	-643.7753	151	45	6	19827	0	28	41

Interface residues

• A-B: ALA11A, ALA11B, ARG16B, ARG2A, ARG2B, ARG57A, ARG57B, ARG63A, ARG63B, ARG7A, ARG7B, ASN139A, ASN139B, ASN142A, ASN142B, ASN147A, ASN147B, ASN61A, ASN61B, ASN66A, ASN66B, ASN75A, ASN75B, ASN94A, ASN94B, ASN99A, ASN99B, ASP102B, ASP144A, ASP144B, ASP148A, ASP148B, ASP156A, ASP156B, ASP159A, ASP159B, ASP73A, ASP73B, CYS39B, CYS59A, GLN6A, GLN6B, GLN88A, GLN88B, GLU24B, GLY10A, GLY10B, GLY135A, GLY135B, GLY138A, GLY138B, GLY149A, GLY149B, GLY93A, GLY93B, GLY98A, GLY98B, HIS158A, ILE12A, ILE12B, ILE143A, ILE143B, ILE153A, ILE153B, ILE155A, ILE155B, ILE160B, ILE38A, ILE38B, ILE5A, ILE5B, LEU13A, LEU13B, LEU27A, LEU27B, LEU41A, LEU41B, LEU60A, LEU60B, LEU62A, LEU62B, LEU64A, LEU64B, LEU91A, LEU91B, LYS100A, LYS100B, LYS136A, LYS136B, LYS58A, LYS58B, LYS70A, LYS70B, LYS74A, LYS74B, LYS77B, LYS96A, LYS96B, LYS97A, LYS97B, LYS9A, LYS9B, MET141A, MET141B, PHE103A, PHE103B, PHE137B, PHE40A, PHE40B, PHE89A, PHE89B, PHE92A, PHE92B, PRO101A, PRO101B, PRO150A, PRO150B, SER14A, SER14B, SER87A, SER87B, THR146A, THR146B, THR152A, THR152B, THR157A, THR157B, THR71A, THR71B, THR90A, THR90B, THR95A, THR95B, TRP65A, TRP65B, TRP72A, TRP72B, TYR140A, TYR140B, TYR154A, TYR154B, TYR54A, TYR54B, VAL145A, VAL145B, VAL151A, VAL151B, VAL15A, VAL15B, VAL3A, VAL3B, VAL4A, VAL4B, VAL86A, VAL86B, VAL8A, VAL8B
• A-D: ARG57A, ARG63A, ASN110D, ASN117D, ASN128D, ASN61A, ASN67A, ASN75A, ASN80A, ASP121D, ASP129D, ASP130D, ASP68A, ASP73A, ASP78A, GLN126A, GLU111D, GLU122A, ILE114D, ILE120D, ILE30D, LEU113D, LEU53A, LEU79A, LYS118D, LYS124D, LYS125A, LYS125D, LYS131D, LYS133D, LYS136D, LYS70A, LYS74A, LYS77A, SER31D, TYR127A
• A-E: ASN128E, ASN80E, ASN99A, ASP130E, GLY98A, LYS100A, LYS131E, LYS97A, TYR127E, TYR81E
• B-D: GLU18D, GLU28D, GLY98B, ILE30D, LYS136D, LYS17D, LYS97B
• B-E: ALA52B, ARG57B, ARG63B, ARG7E, ASN128B, ASN128E, ASN35E, ASN61B, ASN66E, ASN67E, ASN69E, ASN75B, ASN75E, ASN80B, ASN80E, ASP121B, ASP129B, ASP129E, ASP130E, ASP148E, ASP68E, ASP73B, ASP73E, ASP78B, ASP78E, GLN126B, GLU122B, GLU32E, GLU50B, GLU82E, GLY10E, GLY36E, ILE119B, ILE33E, ILE56B, LEU53B, LEU60B, LEU62B, LEU64E, LEU79B, LEU79E, LYS118B, LYS124B, LYS125B, LYS131B, LYS131E, LYS133E, LYS34E, LYS58B, LYS70E, LYS74B, LYS74E, LYS77B, LYS77E, LYS9E, PHE115B, THR146E, TRP49B, TRP65E, TYR127B, TYR127E, TYR54B, TYR81B, TYR81E, VAL76B
• B-F: ARG16F, ASP121B, ASP129B, ASP130B, LEU27F, LYS125B, TYR140F
• C-D: ALA11C, ALA11D, ARG16C, ARG16D, ARG2C, ARG2D, ARG57C, ARG57D, ARG63C, ARG63D, ARG7C, ARG7D, ASN139C, ASN139D, ASN142C, ASN142D, ASN147C, ASN147D, ASN35C, ASN35D, ASN61C, ASN61D, ASN66C, ASN66D, ASN67C, ASN75C, ASN75D, ASN94C, ASN94D, ASN99C, ASN99D, ASP102C, ASP144C, ASP144D, ASP148C, ASP148D, ASP156C, ASP156D, ASP159C, ASP159D, ASP73C, ASP73D, CYS39D, GLN6C, GLN6D, GLN88C, GLN88D, GLY10C, GLY10D, GLY135D, GLY138C, GLY138D, GLY149C, GLY149D, GLY93C, GLY93D, GLY98C, GLY98D, HIS158D, ILE12C, ILE12D, ILE143C, ILE143D, ILE153C, ILE153D, ILE155C, ILE155D, ILE160D, ILE38C, ILE38D, ILE5C, ILE5D, LEU13C, LEU13D, LEU27C, LEU27D, LEU41C, LEU41D, LEU60C, LEU60D, LEU62C, LEU62D, LEU64C, LEU64D, LEU84C, LEU84D, LEU91C, LEU91D, LYS100C, LYS100D, LYS136D, LYS58C, LYS58D, LYS70C, LYS70D, LYS74C, LYS74D, LYS77D, LYS96C, LYS96D, LYS97C, LYS97D, LYS9C, LYS9D, MET141C, MET141D, PHE103C, PHE103D, PHE40C, PHE40D, PHE89C, PHE89D, PHE92C, PHE92D, PRO101C, PRO101D, PRO150C, PRO150D, SER14C, SER14D, SER87C, SER87D, THR146C, THR146D, THR152C, THR152D, THR157D, THR71C, THR71D, THR90C, THR90D, THR95C, THR95D, TRP65D, TRP72C, TRP72D, TYR140C, TYR140D, TYR154C, TYR154D, TYR54C, TYR54D, VAL145C, VAL145D, VAL151C, VAL151D, VAL15D, VAL3C, VAL3D, VAL4C, VAL4D, VAL86C, VAL86D, VAL8C, VAL8D
• E-F: ALA11E, ALA11F, ARG16E, ARG16F, ARG2E, ARG2F, ARG57E, ARG57F, ARG63E, ARG63F, ARG7E, ARG7F, ASN139E, ASN139F, ASN142E, ASN142F, ASN147E, ASN147F, ASN61E, ASN61F, ASN66E, ASN67E, ASN69E, ASN75E, ASN75F, ASN94E, ASN94F, ASN99E, ASN99F, ASP102E, ASP102F, ASP144E, ASP144F, ASP148E, ASP148F, ASP156E, ASP156F, ASP159F, ASP73E, ASP73F, CYS59F, GLN6E, GLN6F, GLN88E, GLN88F, GLY10E, GLY10F, GLY135E, GLY135F, GLY138E, GLY149E, GLY149F, GLY93E, GLY93F, GLY98E, GLY98F, HIS158E, HIS158F, ILE12E, ILE12F, ILE143E, ILE143F, ILE153E, ILE153F, ILE155E, ILE155F, ILE38E, ILE38F, ILE56F, ILE5E, ILE5F, LEU13E, LEU13F, LEU27E, LEU60E, LEU60F, LEU62E, LEU62F, LEU64E, LEU64F, LEU84E, LEU84F, LEU91E, LEU91F, LYS100E, LYS100F, LYS58E, LYS58F, LYS70E, LYS70F, LYS74E, LYS74F, LYS77E, LYS96E, LYS96F, LYS97E, LYS97F, LYS9E, LYS9F, MET141E, MET141F, PHE103E, PHE103F, PHE40E, PHE40F, PHE89E, PHE89F, PHE92E, PHE92F, PRO101E, PRO101F, PRO150E, PRO150F, SER14E, SER14F, SER87E, SER87F, THR146E, THR146F, THR152E, THR152F, THR157F, THR71E, THR71F, THR90E, THR90F, THR95E, THR95F, TRP65E, TRP65F, TRP72E, TRP72F, TYR140E, TYR140F, TYR154E, TYR154F, TYR54E, TYR54F, VAL145E, VAL145F, VAL151E, VAL151F, VAL15F, VAL3E, VAL3F, VAL4E, VAL4F, VAL86E, VAL86F, VAL8E, VAL8F