1Z6B

crystal structure of plasmodium falciparum fabz at 2.1 a

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 94
  • Norm. En. per Res.: -4.3857
• Hub Node: A(4)

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	-98.043	-23.6626	-403.618	-525.3236	124	15	12	15738	4	8	17
A-C	0.0	0.0	-0.1311	-0.1311	5	0	0	46	0	0	1
A-D	-54.8396	-5.5839	-351.83	-412.2535	94	15	3	13099	0	28	21
A-E	0.0	0.0	-0.1036	-0.1036	5	0	0	36	0	0	1
B-D	0.0	0.0	-0.0995	-0.0995	5	0	0	38	0	0	1
B-E	-54.8566	-4.5922	-334.585	-394.0338	93	14	2	12759	0	27	19
B-F	0.0	0.0	-0.0952	-0.0952	5	0	0	34	0	0	1
C-D	-77.626	-10.7709	-415.956	-504.3529	125	16	13	16433	2	9	17
C-E	0.0	0.0	-0.1126	-0.1126	5	0	0	40	0	0	1
C-F	-52.6761	-5.2435	-351.207	-409.1266	95	11	3	13092	0	28	20
D-F	0.0	0.0	-0.0837	-0.0837	5	0	0	36	0	0	1
E-F	-94.5391	-29.6528	-426.161	-550.3529	127	13	13	16653	4	9	17

Interface residues

• A-B: ALA148A, ALA148B, ALA150A, ALA150B, ALA172A, ALA172B, ALA227A, ARG178A, ARG178B, ARG99A, ARG99B, ASN131A, ASN131B, ASN166A, ASN167A, ASN220A, ASN220B, ASP175A, ASP175B, GLN136A, GLN136B, GLN138B, GLN145A, GLN145B, GLN151A, GLN151B, GLU127A, GLU127B, GLU147A, GLU147B, GLU223A, GLU223B, GLY132A, GLY132B, GLY142A, GLY142B, GLY173A, GLY173B, GLY176A, GLY176B, HIS133A, HIS133B, HIS98A, HIS98B, ILE139A, ILE139B, ILE146A, ILE146B, ILE204B, ILE219A, ILE219B, ILE221A, ILE221B, LEU103A, LEU103B, LEU104A, LEU104B, LEU144A, LEU144B, LEU149A, LEU149B, LEU168A, LEU170A, LEU170B, LEU184A, LEU184B, LEU96A, LEU96B, LYS137A, LYS137B, LYS180A, LYS180B, LYS181A, LYS181B, LYS206A, LYS206B, LYS93A, LYS93B, MET140A, MET140B, MET224A, MET224B, PHE102A, PHE102B, PHE129A, PHE129B, PHE130A, PHE130B, PHE134A, PHE134B, PHE169A, PHE171A, PHE171B, PHE226A, PHE226B, PRO101A, PRO101B, PRO128A, PRO128B, PRO135A, PRO135B, PRO141A, PRO141B, PRO182A, PRO182B, PRO97A, PRO97B, SER222A, SER222B, SER229A, THR225A, THR225B, TRP179A, TRP179B, TYR100A, TYR100B, VAL143A, VAL143B, VAL174A, VAL174B, VAL177A, VAL177B, VAL183A, VAL183B
• A-C: ASN131A, ASN131C, PRO101C, TYR100A, TYR100C
• A-D: ARG99A, ARG99D, ASN126A, ASN126D, ASN131A, ASN131D, ASN214D, ASP106A, ASP106D, ASP187A, ASP187D, ASP88A, ASP88D, GLN122A, GLN122D, GLN136A, GLN136D, GLN138A, GLN138D, GLN151A, GLN151D, GLU127A, GLU127D, GLU90A, GLU90D, GLY186A, GLY186D, HIS98A, HIS98D, ILE109A, ILE139A, ILE139D, ILE89A, ILE89D, ILE92A, ILE92D, LEU103A, LEU103D, LEU104A, LEU104D, LEU120A, LEU120D, LEU144A, LEU144D, LEU184A, LEU184D, LEU189A, LEU189D, LYS107A, LYS107D, LYS121A, LYS121D, LYS137A, LYS137D, LYS93A, LYS93D, LYS94A, LYS94D, MET140A, MET140D, PHE102A, PHE102D, PHE129A, PHE129D, PHE130A, PHE130D, PHE134A, PHE134D, PRO101A, PRO101D, PRO128A, PRO128D, PRO135A, PRO135D, PRO141A, PRO141D, PRO185A, PRO185D, SER124A, SER124D, THR125A, THR125D, THR188A, THR188D, TYR100A, TYR100D, VAL105A, VAL105D, VAL108A, VAL108D, VAL123A, VAL123D, VAL213A, VAL213D
• A-E: ASN131A, ASN131E, PRO101A, TYR100A, TYR100E
• B-D: ASN131B, ASN131D, PRO101B, TYR100B, TYR100D
• B-E: ARG99B, ARG99E, ASN126B, ASN126E, ASN131B, ASN131E, ASN214B, ASN214E, ASP106B, ASP106E, ASP187B, ASP187E, ASP88B, ASP88E, GLN122B, GLN122E, GLN136B, GLN136E, GLN138B, GLN138E, GLN151B, GLN151E, GLU127B, GLU127E, GLU90B, GLU90E, GLY186B, GLY186E, HIS98B, HIS98E, ILE139B, ILE139E, ILE89B, ILE89E, ILE92B, ILE92E, LEU103B, LEU103E, LEU104B, LEU104E, LEU120B, LEU120E, LEU144B, LEU144E, LEU184B, LEU184E, LEU189B, LEU189E, LYS107B, LYS107E, LYS121B, LYS121E, LYS137B, LYS137E, LYS93B, LYS93E, LYS94B, MET140B, MET140E, PHE102B, PHE102E, PHE129B, PHE129E, PHE130B, PHE130E, PHE134B, PHE134E, PRO101B, PRO101E, PRO128B, PRO128E, PRO135B, PRO135E, PRO141B, PRO141E, PRO185B, PRO185E, SER124B, SER124E, THR125B, THR125E, THR188B, THR188E, TYR100B, TYR100E, VAL105B, VAL105E, VAL108B, VAL108E, VAL123B, VAL123E, VAL213B, VAL213E
• B-F: ASN131B, ASN131F, PRO101F, TYR100B, TYR100F
• C-D: ALA148C, ALA148D, ALA150C, ALA150D, ALA172C, ALA172D, ALA227C, ALA227D, ARG178C, ARG178D, ARG99C, ARG99D, ASN131C, ASN131D, ASN167C, ASN167D, ASN220C, ASN220D, ASP175C, ASP175D, GLN136C, GLN136D, GLN138C, GLN138D, GLN145C, GLN145D, GLN151C, GLN151D, GLU127C, GLU127D, GLU147C, GLU147D, GLU223C, GLU223D, GLY132C, GLY132D, GLY142C, GLY142D, GLY173C, GLY173D, GLY176C, GLY176D, HIS133C, HIS133D, HIS98C, HIS98D, ILE139C, ILE139D, ILE146C, ILE146D, ILE204C, ILE219C, ILE219D, ILE221C, ILE221D, LEU103C, LEU103D, LEU104C, LEU104D, LEU144C, LEU144D, LEU149C, LEU149D, LEU168C, LEU168D, LEU170C, LEU170D, LEU184C, LEU184D, LEU96C, LEU96D, LYS137C, LYS137D, LYS180C, LYS180D, LYS181C, LYS181D, LYS206C, LYS93D, MET140C, MET140D, MET224C, MET224D, PHE102C, PHE102D, PHE129C, PHE129D, PHE130C, PHE130D, PHE134C, PHE134D, PHE169C, PHE169D, PHE171C, PHE171D, PHE226C, PHE226D, PRO101C, PRO101D, PRO128C, PRO128D, PRO135C, PRO135D, PRO141C, PRO141D, PRO182C, PRO182D, PRO97C, PRO97D, SER222C, SER222D, THR225C, THR225D, TRP179C, TRP179D, TYR100C, TYR100D, VAL143C, VAL143D, VAL174C, VAL174D, VAL177C, VAL177D, VAL183C, VAL183D
• C-E: ASN131C, ASN131E, PRO101E, TYR100C, TYR100E
• C-F: ARG99C, ARG99F, ASN126C, ASN126F, ASN131C, ASN131F, ASN214C, ASN214F, ASP106C, ASP106F, ASP187C, ASP187F, ASP88C, ASP88F, GLN122C, GLN122F, GLN136C, GLN136F, GLN138C, GLN138F, GLN151C, GLN151F, GLU127C, GLU127F, GLU90C, GLU90F, GLY186C, GLY186F, HIS98C, HIS98F, ILE109C, ILE139C, ILE139F, ILE89C, ILE89F, ILE92C, ILE92F, LEU103C, LEU103F, LEU104C, LEU104F, LEU120C, LEU120F, LEU144C, LEU144F, LEU184C, LEU184F, LEU189C, LEU189F, LEU96F, LYS107C, LYS107F, LYS121C, LYS121F, LYS137C, LYS137F, LYS93C, LYS93F, LYS94C, MET140C, MET140F, PHE102C, PHE102F, PHE129C, PHE129F, PHE130C, PHE130F, PHE134C, PHE134F, PRO101C, PRO101F, PRO128C, PRO128F, PRO135C, PRO135F, PRO141C, PRO141F, PRO185C, PRO185F, SER124C, SER124F, THR125C, THR125F, THR188C, THR188F, TYR100C, TYR100F, VAL105C, VAL105F, VAL108C, VAL108F, VAL123C, VAL123F, VAL213C, VAL213F
• D-F: ASN131D, ASN131F, PRO101D, TYR100D, TYR100F
• E-F: ALA148E, ALA148F, ALA150E, ALA150F, ALA172E, ALA172F, ALA227E, ALA227F, ARG178E, ARG178F, ARG99E, ARG99F, ASN131E, ASN131F, ASN166E, ASN166F, ASN167E, ASN167F, ASN220E, ASN220F, ASP175E, ASP175F, GLN136E, GLN136F, GLN138E, GLN138F, GLN145E, GLN145F, GLN151E, GLN151F, GLU127E, GLU127F, GLU147E, GLU147F, GLU223E, GLU223F, GLY132E, GLY132F, GLY142E, GLY142F, GLY173E, GLY173F, GLY176E, GLY176F, HIS133E, HIS133F, HIS98E, HIS98F, ILE139E, ILE139F, ILE146E, ILE146F, ILE219E, ILE219F, ILE221E, ILE221F, LEU103E, LEU103F, LEU104E, LEU104F, LEU144E, LEU144F, LEU149E, LEU149F, LEU168E, LEU168F, LEU170E, LEU170F, LEU184E, LEU184F, LEU96E, LEU96F, LYS137E, LYS137F, LYS180E, LYS180F, LYS181E, LYS181F, LYS206E, LYS206F, LYS93F, MET140E, MET140F, MET224E, MET224F, PHE102E, PHE102F, PHE129E, PHE129F, PHE130E, PHE130F, PHE134E, PHE134F, PHE169E, PHE169F, PHE171E, PHE171F, PHE226E, PHE226F, PRO101E, PRO101F, PRO128E, PRO128F, PRO135E, PRO135F, PRO141E, PRO141F, PRO182E, PRO182F, PRO97E, PRO97F, SER222E, SER222F, THR225E, THR225F, TRP179E, TRP179F, TYR100E, TYR100F, VAL143E, VAL143F, VAL174E, VAL174F, VAL177E, VAL177F, VAL183E, VAL183F