1XIQ

plasmodium falciparum nucleoside diphosphate kinase b

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 23
  • Norm. En. per Res.: -4.4377
• Hub Node: A(5)

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	-24.8691	-8.5258	-209.269	-242.6639	76	5	2	8742	0	24	26
A-C	-39.5421	-9.2555	-211.383	-260.1806	78	16	2	9029	0	24	28
A-D	-21.536	-16.6138	-63.9163	-102.0662	23	1	0	1949	2	10	12
A-E	0.0	0.0	-0.0084	-0.0084	3	0	0	4	0	0	1
A-F	-52.2742	0.0391	-299.297	-351.532	109	24	8	12617	0	24	42
B-C	-39.3546	-7.6042	-262.842	-309.8008	80	21	2	10165	0	25	30
B-D	0.0	0.0	-0.0326	-0.0326	5	0	0	16	0	0	1
B-E	-61.7603	1.8439	-286.713	-346.6294	110	29	8	12468	0	24	39
B-F	-19.1838	-15.5162	-62.6009	-97.3009	23	6	0	1905	3	10	12
C-D	-73.7154	0.383	-305.094	-378.4264	111	21	9	12471	0	24	40
C-E	-3.3818	-32.1852	-50.2109	-85.778	22	7	0	2001	3	10	13
C-F	0.0	0.0	-0.0082	-0.0082	3	0	0	4	0	0	1
D-E	-50.8637	-11.5761	-258.923	-321.3628	79	17	2	10264	0	25	28
D-F	-19.9506	-9.1362	-198.796	-227.8828	76	6	2	8503	0	24	26
E-F	-39.3243	-11.7449	-226.558	-277.6272	77	9	2	9173	0	24	28

Interface residues

• A-B: ARG102A, ARG15A, ARG24A, ARG24B, ARG85B, ASN112A, ASN92A, ASN97A, ASN97B, ASP104A, ASP104B, ASP11A, ASP79B, CYS106A, CYS148B, GLN14A, GLN83B, GLU108A, GLU145B, GLU26B, GLU76B, GLY103A, GLY12A, GLY16A, GLY29B, GLY68A, GLY77B, GLY84B, GLY89B, GLY99A, GLY99B, HIS141B, ILE101A, ILE101B, ILE147B, ILE21A, ILE65A, ILE88B, LEU107A, LEU17A, LEU87B, LEU94A, LYS111A, LYS144B, LYS23B, LYS27B, LYS28B, LYS31B, LYS67A, LYS82B, LYS86B, LYS9A, MET143B, MET1B, MET80B, PHE105A, PHE25B, PRO10A, PRO69A, PRO93A, SER110A, SER149B, SER96A, THR100A, THR100B, THR20A, THR95A, THR98A, THR98B, TRP146B, TYR30B, TYR64A, VAL109A, VAL113A, VAL13A, VAL78B
• A-C: ARG102C, ARG15C, ARG24A, ARG24C, ARG85A, ASN112C, ASN92C, ASN97A, ASN97C, ASP104A, ASP104C, ASP11C, ASP79A, CYS106C, CYS148A, GLN14C, GLN83A, GLU108C, GLU145A, GLU26A, GLU76A, GLU90C, GLY103A, GLY103C, GLY12C, GLY16C, GLY29A, GLY68C, GLY77A, GLY89A, GLY99A, GLY99C, HIS141A, ILE101A, ILE101C, ILE147A, ILE65C, ILE88A, LEU107C, LEU17C, LEU87A, LEU94C, LYS111C, LYS144A, LYS23A, LYS27A, LYS28A, LYS31A, LYS67C, LYS82A, LYS86A, LYS9C, MET143A, MET1A, MET80A, PHE105C, PHE25A, PHE57C, PRO10C, PRO69C, PRO93C, SER110C, SER149A, SER96A, SER96C, THR100A, THR100C, THR20C, THR95C, THR98A, THR98C, TRP146A, TYR30A, TYR64C, VAL109C, VAL113C, VAL13C, VAL78A
• A-D: GLU145A, GLU145D, GLU26A, HIS141A, HIS141D, HIS142A, HIS142D, ILE147A, ILE147D, LYS140A, LYS140D, LYS144A, LYS144D, LYS23A, LYS23D, LYS27A, LYS27D, MET143A, MET143D, TRP139A, TRP139D, TRP146A, TRP146D
• A-E: ARG15A, ARG15E, GLY16E
• A-F: ALA34A, ALA34F, ALA72A, ALA72F, ARG15A, ARG15F, ARG24A, ARG24F, ASN39A, ASN39F, ASP11A, ASP11F, GLN138A, GLN138F, GLN14A, GLN14F, GLU134A, GLU134F, GLU135A, GLU135F, GLU26A, GLU26F, GLY12A, GLY12F, GLY16A, GLY16F, GLY19A, GLY19F, GLY29A, GLY29F, GLY68A, GLY68F, HIS141A, HIS141F, HIS142A, HIS142F, ILE147A, ILE21A, ILE21F, ILE22A, ILE22F, ILE33A, ILE33F, ILE35A, ILE35F, ILE8A, ILE8F, LEU136A, LEU136F, LEU17A, LEU17F, LEU32A, LEU32F, LEU38A, LEU38F, LYS132A, LYS132F, LYS140A, LYS140F, LYS144A, LYS144F, LYS23A, LYS23F, LYS27A, LYS27F, LYS31A, LYS31F, LYS36A, LYS36F, LYS67A, LYS67F, MET143A, MET143F, MET37A, MET37F, MET73A, MET73F, PHE105A, PHE105F, PHE131A, PHE131F, PHE25A, PHE25F, PRO10A, PRO10F, PRO40A, PRO40F, PRO69A, PRO69F, THR137A, THR137F, THR20A, THR20F, TRP139A, TRP139F, TRP75A, TRP75F, TYR30A, TYR30F, VAL13A, VAL13F, VAL18A, VAL18F, VAL70A, VAL70F, VAL71A, VAL71F, VAL74A, VAL74F
• B-C: ALA63B, ARG102B, ARG15B, ARG24B, ARG24C, ASN112B, ASN60B, ASN92B, ASN97B, ASN97C, ASP104B, ASP104C, ASP11B, ASP79C, CYS106B, CYS148C, GLN14B, GLN83C, GLU108B, GLU145C, GLU26C, GLU76C, GLU90B, GLY103B, GLY12B, GLY16B, GLY29C, GLY68B, GLY77C, GLY89C, GLY99B, GLY99C, HIS141C, HIS142C, ILE101B, ILE101C, ILE147C, ILE21B, ILE65B, ILE88C, LEU107B, LEU17B, LEU61B, LEU87C, LEU94B, LYS111B, LYS144C, LYS23C, LYS27C, LYS28C, LYS31C, LYS67B, LYS82C, LYS86C, LYS9B, MET143C, MET1C, MET80C, PHE105B, PHE25C, PHE57B, PRO10B, PRO69B, PRO93B, SER110B, SER149C, SER96B, THR100B, THR100C, THR20B, THR95B, THR98B, THR98C, TRP146C, TYR30C, TYR64B, VAL109B, VAL113B, VAL13B, VAL78C
• B-D: ARG15B, ARG15D, GLN14D, GLY16B, GLY16D
• B-E: ALA34B, ALA34E, ALA72B, ALA72E, ARG15B, ARG15E, ARG24B, ARG24E, ASN39B, ASN39E, ASP11B, GLN138B, GLN138E, GLN14B, GLN14E, GLU134B, GLU134E, GLU135B, GLU135E, GLU26B, GLU26E, GLY12B, GLY12E, GLY16B, GLY16E, GLY19B, GLY19E, GLY29B, GLY29E, GLY68B, GLY68E, HIS141B, HIS141E, HIS142B, HIS142E, ILE147B, ILE147E, ILE21B, ILE21E, ILE22B, ILE22E, ILE33B, ILE33E, ILE35B, ILE35E, ILE8B, ILE8E, LEU136B, LEU136E, LEU17B, LEU17E, LEU32B, LEU32E, LEU38B, LEU38E, LYS132B, LYS132E, LYS140B, LYS140E, LYS144B, LYS144E, LYS23B, LYS23E, LYS27B, LYS27E, LYS31B, LYS31E, LYS36B, LYS36E, LYS67B, LYS67E, MET143B, MET143E, MET37B, MET37E, MET73B, MET73E, PHE105B, PHE105E, PHE131B, PHE131E, PHE25B, PHE25E, PRO10B, PRO10E, PRO40B, PRO40E, PRO69B, PRO69E, THR137B, THR137E, THR20B, THR20E, TRP139B, TRP139E, TRP75B, TRP75E, TYR30B, TYR30E, TYR64B, VAL13B, VAL13E, VAL18B, VAL18E, VAL70B, VAL70E, VAL71B, VAL71E, VAL74B, VAL74E
• B-F: GLU145B, GLU145F, GLU26B, GLU26F, HIS141B, HIS141F, HIS142B, HIS142F, ILE147B, LYS140B, LYS140F, LYS144B, LYS144F, LYS23B, LYS23F, LYS27B, LYS27F, MET143B, MET143F, TRP139B, TRP139F, TRP146B, TRP146F
• C-D: ALA34C, ALA34D, ALA72C, ALA72D, ARG15C, ARG15D, ARG24C, ARG24D, ASN39C, ASN39D, ASP11D, GLN138C, GLN138D, GLN14C, GLN14D, GLU134C, GLU134D, GLU135C, GLU135D, GLU26C, GLU26D, GLY12C, GLY12D, GLY16C, GLY16D, GLY19C, GLY19D, GLY29C, GLY29D, GLY68C, GLY68D, HIS141C, HIS141D, HIS142C, HIS142D, ILE147C, ILE147D, ILE21C, ILE21D, ILE22C, ILE22D, ILE33C, ILE33D, ILE35C, ILE35D, ILE8C, ILE8D, LEU136C, LEU136D, LEU17C, LEU17D, LEU32C, LEU32D, LEU38C, LEU38D, LYS132C, LYS132D, LYS140C, LYS140D, LYS144C, LYS144D, LYS23C, LYS23D, LYS27C, LYS27D, LYS31C, LYS31D, LYS36C, LYS36D, LYS67C, LYS67D, MET143C, MET143D, MET37C, MET37D, MET73C, MET73D, PHE105C, PHE105D, PHE131C, PHE131D, PHE25C, PHE25D, PRO10C, PRO10D, PRO40C, PRO40D, PRO69C, PRO69D, THR137C, THR137D, THR20C, THR20D, THR41C, TRP139C, TRP139D, TRP75C, TRP75D, TYR30C, TYR30D, TYR64D, VAL13C, VAL13D, VAL18C, VAL18D, VAL70C, VAL70D, VAL71C, VAL71D, VAL74C, VAL74D
• C-E: GLU145C, GLU145E, HIS141C, HIS141E, HIS142C, HIS142E, ILE147C, ILE147E, LYS140C, LYS140E, LYS144C, LYS144E, LYS23C, LYS23E, LYS27C, LYS27E, MET143C, MET143E, TRP139C, TRP139E, TRP146C, TRP146E
• C-F: ARG15C, ARG15F, GLY16F
• D-E: ARG102D, ARG15D, ARG24D, ARG24E, ARG85E, ASN112D, ASN60D, ASN92D, ASN97D, ASN97E, ASP104D, ASP104E, ASP11D, ASP79E, CYS106D, CYS148E, GLN14D, GLN83E, GLU108D, GLU145E, GLU26E, GLU76E, GLU90D, GLY103D, GLY12D, GLY16D, GLY29E, GLY68D, GLY77E, GLY84E, GLY89E, GLY99D, GLY99E, HIS141E, HIS142E, ILE101D, ILE101E, ILE147E, ILE65D, ILE88E, LEU107D, LEU17D, LEU87E, LEU94D, LYS111D, LYS144E, LYS23E, LYS27E, LYS28E, LYS31E, LYS67D, LYS82E, LYS86E, LYS9D, MET143E, MET1E, MET80E, PHE105D, PHE25E, PHE57D, PRO10D, PRO69D, PRO93D, SER110D, SER149E, SER96D, THR100D, THR100E, THR20D, THR95D, THR98D, THR98E, TRP146E, TYR30E, TYR64D, VAL109D, VAL113D, VAL13D, VAL78E
• D-F: ARG102F, ARG15F, ARG24D, ARG24F, ASN112F, ASN92F, ASN97D, ASN97F, ASP104D, ASP104F, ASP11F, ASP79D, CYS106F, CYS148D, GLN14F, GLN83D, GLU108F, GLU145D, GLU26D, GLU76D, GLU90F, GLY103D, GLY103F, GLY12F, GLY16F, GLY29D, GLY68F, GLY77D, GLY89D, GLY99D, GLY99F, HIS141D, ILE101D, ILE101F, ILE147D, ILE65F, ILE88D, LEU107F, LEU17F, LEU87D, LEU94F, LYS111F, LYS144D, LYS23D, LYS27D, LYS28D, LYS31D, LYS67F, LYS82D, LYS86D, LYS9F, MET143D, MET1D, MET80D, PHE105F, PHE25D, PRO10F, PRO69F, PRO93F, SER110F, SER149D, SER96D, SER96F, THR100D, THR100F, THR20F, THR95F, THR98D, THR98F, TRP146D, TYR30D, TYR64F, VAL109F, VAL113F, VAL13F, VAL78D
• E-F: ARG102E, ARG15E, ARG24E, ARG24F, ARG85F, ASN112E, ASN60E, ASN92E, ASN97E, ASN97F, ASP104E, ASP104F, ASP11E, ASP79F, CYS106E, CYS148F, GLN14E, GLN83F, GLU108E, GLU145F, GLU26F, GLU76F, GLU90E, GLY103E, GLY12E, GLY16E, GLY29F, GLY68E, GLY77F, GLY89F, GLY99E, GLY99F, HIS141F, ILE101E, ILE101F, ILE147F, ILE65E, ILE88F, LEU107E, LEU17E, LEU87F, LEU94E, LYS111E, LYS144F, LYS23F, LYS27F, LYS28F, LYS31F, LYS67E, LYS82F, LYS86F, LYS9E, MET143F, MET1F, MET80F, PHE105E, PHE25F, PHE57E, PRO10E, PRO69E, PRO93E, SER110E, SER149F, SER96E, THR100E, THR100F, THR20E, THR95E, THR98E, THR98F, TRP146F, TYR30F, TYR64E, VAL109E, VAL113E, VAL13E, VAL78F