1OB1

crystal structure of a fab complex whith plasmodium falciparum msp1-19

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 52
  • Norm. En. per Res.: -4.7041
• 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	-12.2053	-15.2491	348.925	321.4706	194	45	10	18580	1	20	17
A-C	0.0	-16.5875	-88.4202	-105.0077	26	4	0	3047	0	10	15
A-D	0.0	0.0	-0.0159	-0.0159	8	0	0	11	0	0	0
A-F	-13.5186	-34.7522	-30.8971	-79.1679	46	4	1	1962	6	19	15
B-C	-52.5534	-45.848	-129.154	-227.5554	53	12	0	4777	2	12	16
B-E	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	1
B-F	-17.414	7.8243	-4.7755	-14.3652	18	2	0	593	0	5	5
C-D	-15.1333	-23.0604	-33.235	-71.4287	44	3	1	1690	5	12	13
C-E	-14.7104	7.6346	-8.0651	-15.1409	18	2	0	437	0	5	4
C-F	0.0	0.0	-2.9224	-2.9224	10	0	0	210	0	6	5
D-E	-22.3986	-11.8338	326.518	292.2857	190	26	10	17738	1	21	18
D-F	0.0	-16.9502	-83.9934	-100.9436	25	2	0	2999	0	10	15
E-F	-65.4355	-44.8182	-134.358	-244.6117	52	12	0	4755	2	14	16

Interface residues

• A-B: ALA125B, ALA129A, ALA168B, ALA55A, ALA60B, ALA93B, ARG210A, ARG39B, ARG94B, ARG98B, ASN136A, ASN137A, ASN156A, ASN160A, ASN209A, ASN211A, ASN53A, ASN95B, ASP100B, ASP101B, ASP130B, ASP164A, ASP166A, ASP169A, ASP1A, ASP1A5, ASP44B, ASP61B, ASP62B, CB8.707538.93461, CB8.7833125.95930, CYS128B, CYS133A, CYS140B, CYS213A, CYS88A, CYS92B, GLN105B, GLN123A, GLN165A, GLN171B, GLN35B, GLN37A, GLN38A, GLN38B, GLN58B, GLN6B, GLN90A, GLU122A, GLU211B, GLU212A, GLY100A, GLY100B, GLY101A, GLY104B, GLY106B, GLY127A, GLY128A, GLY129B, GLY139B, GLY157A, GLY162B, GLY41A, GLY42B, GLY49B, GLY99A, HIS164B, HIS34A, HIS89A, HIS92A, HIS93A, ILE116A, ILE210B, ILE48A, ILE48B, LEU124A, LEU124B, LEU135A, LEU138B, LEU141B, LEU159A, LEU170B, LEU174B, LEU177B, LEU178A, LEU180A, LEU33A, LEU45B, LEU46A, LEU54A, LYS143B, LYS168A, LYS206A, LYS208B, LYS39A, LYS43B, LYS45A, LYS46B, LYS64B, MET100B, MET174A, PHE102B, PHE117A, PHE134A, PHE138A, PHE166B, PHE208A, PHE63B, PHE91A, PHE91B, PHE98A, PHE99B, PRO118A, PRO119A, PRO123B, PRO126B, PRO167B, PRO40A, PRO44A, PRO95A, SER115A, SER120A, SER120B, SER121A, SER126A, SER130A, SER135B, SER160B, SER161A, SER161B, SER167A, SER173A, SER175A, SER176A, SER178B, SER179B, SER180B, SER207A, SER30A, SER31A, SER42A, SER43A, SER56A, SER94A, THR113A, THR125A, THR137B, THR163A, THR165B, THR171A, THR176B, THR177A, THR179A, THR182B, THR50A, THR51A, THR85A, THR89B, THR97A, TRP103B, TRP154B, TRP162A, TRP188B, TRP35A, TRP36B, TRP47A, TRP47B, TRP50B, TYR122B, TYR172A, TYR175B, TYR32A, TYR36A, TYR49A, TYR59B, TYR86A, TYR87A, TYR96A, TYR96B, TYR97B, VAL114A, VAL121B, VAL127B, VAL131A, VAL132A, VAL136B, VAL142B, VAL158A, VAL163B, VAL169B, VAL181B, VAL205A, VAL206B, VAL37B
• A-C: ARG20C, ARG25C, ASP23C, CYS28C, GLN90A, GLU24C, GLU26C, GLU27C, HIS21C, HIS34A, HIS92A, HIS93A, ILE2A, LEU22C, LEU28A, LYS10C, LYS9C, PHE91A, SER29A, SER30A, SER31A, SER94A, THR50A, TYR32A, TYR96A, VAL8C
• A-D: ASN53A, ASN53D, SER31A, SER52D, SER65A, SER65D, SER67A, SER67D
• A-F: ALA55A, ALA58F, ALA60F, ALA80A, ARG25F, ARG61A, ASN52F, ASN53A, ASN53F, ASP23F, ASP57F, ASP59F, ASP82A, CYS56F, CYS92F, GLN36F, GLU27F, GLU51F, GLU79A, GLU81A, GLY16A, GLY57A, GLY64A, HIS21F, HIS94F, HIS95F, HIS96F, LEU15A, LEU22F, LEU54A, LYS29F, LYS80F, MET78A, PHE19F, PHE62A, PRO59A, PRO81F, SER52A, SER56A, SER60A, SER63A, SER76A, SER77A, THR79F, TRP47A, VAL58A
• B-C: ALA32B, ARG25C, ARG94B, ARG98B, ASN15C, ASN52B, ASN95B, ASP100B, ASP39C, CYS12C, CYS18C, CYS28C, CYS41C, CYS7C, GLN11C, GLN14C, GLN35B, GLN36C, GLN58B, GLN6C, GLU26C, GLU27C, GLU37C, GLY100B, GLY33B, GLY38C, GLY55B, HIS53B, ILE2C, ILE34B, ILE51B, LYS10C, LYS29C, LYS40C, LYS9C, PHE29B, PHE99B, PRO13C, PRO57B, SER16C, SER54B, THR28B, THR30B, THR31B, THR52B, TRP47B, TRP50B, TYR27B, TYR59B, TYR96B, TYR97B, VAL56B, VAL8C
• B-E: ARG98B, ARG98E
• B-F: ARG98B, ASN44F, ASN46F, ASN50F, ASN52F, ASP39F, GLN36F, GLN3B, GLU1B, GLU51F, GLY26B, GLY38F, LEU2B, LYS35F, PHE102B, PHE99B, PRO47F, THR48F
• C-D: ALA55D, ALA58C, ALA60C, ALA80D, ARG25C, ARG61D, ASN52C, ASN53C, ASN53D, ASP23C, ASP57C, ASP59C, ASP82D, CYS56C, CYS92C, GLN36C, GLU27C, GLU51C, GLU79D, GLU81D, GLY57D, GLY64D, HIS21C, HIS5C, HIS94C, LEU15D, LEU22C, LEU54D, LYS29C, LYS80C, MET78D, PHE19C, PHE62D, PRO59D, PRO81C, SER52D, SER56D, SER60D, SER63D, SER76D, SER77D, THR79C, TRP47D, VAL58D
• C-E: ARG98E, ASN44C, ASN46C, ASN50C, ASN52C, ASP39C, GLN36C, GLN3E, GLU1E, GLU51C, GLY26E, GLY38C, LEU2E, LYS35C, PHE102E, PHE99E, PRO47C, THR48C
• C-F: ASP39C, ASP39F, GLN36C, GLN36F, GLU37C, GLU37F, GLY38C, GLY38F, LYS40C, LYS40F
• D-E: ALA125E, ALA129D, ALA168E, ALA55D, ALA60E, ALA93E, ALA9D, ARG210D, ARG39E, ARG94E, ARG98E, ASN136D, ASN137D, ASN156D, ASN160D, ASN209D, ASN53D, ASN95E, ASP100E, ASP101E, ASP130E, ASP164D, ASP166D, ASP169D, ASP1D, ASP44E, ASP61E, ASP62E, CYS128E, CYS133D, CYS140E, CYS213D, CYS88D, CYS92E, GLN105E, GLN123D, GLN165D, GLN171E, GLN35E, GLN37D, GLN38D, GLN38E, GLN58E, GLN6D, GLN6E, GLN90D, GLU122D, GLU212D, GLY100D, GLY100E, GLY101D, GLY104E, GLY106E, GLY128D, GLY129E, GLY139E, GLY157D, GLY162E, GLY41D, GLY42E, GLY49E, GLY99D, HIS164E, HIS34D, HIS89D, HIS92D, HIS93D, ILE10D, ILE116D, ILE210E, ILE48D, ILE48E, LEU124D, LEU124E, LEU135D, LEU138E, LEU141E, LEU159D, LEU170E, LEU174E, LEU177E, LEU178D, LEU180D, LEU33D, LEU45E, LEU46D, LEU4E, LEU54D, LYS143E, LYS168D, LYS206D, LYS208E, LYS43E, LYS45D, LYS46E, LYS64E, MET100E, MET174D, MET4D, PHE102E, PHE117D, PHE134D, PHE138D, PHE166E, PHE208D, PHE63E, PHE91D, PHE91E, PHE98D, PHE99E, PRO118D, PRO119D, PRO123E, PRO126E, PRO167E, PRO40D, PRO44D, PRO95D, SER115D, SER120D, SER120E, SER121D, SER126D, SER130D, SER135E, SER160E, SER161D, SER161E, SER167D, SER173D, SER175D, SER176D, SER178E, SER179E, SER180E, SER207D, SER30D, SER31D, SER42D, SER43D, SER56D, SER94D, THR113D, THR125D, THR137E, THR163D, THR165E, THR171D, THR176E, THR177D, THR179D, THR182E, THR50D, THR51D, THR85D, THR89E, THR97D, TRP103E, TRP154E, TRP162D, TRP188E, TRP35D, TRP36E, TRP47D, TRP47E, TRP50E, TYR122E, TYR172D, TYR175E, TYR32D, TYR36D, TYR49D, TYR59E, TYR86D, TYR87D, TYR96D, TYR96E, TYR97E, VAL114D, VAL121E, VAL127E, VAL131D, VAL132D, VAL136E, VAL142E, VAL158D, VAL163E, VAL169E, VAL181E, VAL37E
• D-F: ARG20F, ARG25F, ASP23F, GLN90D, GLU24F, GLU26F, GLU27F, HIS21F, HIS34D, HIS92D, HIS93D, ILE2D, LEU22F, LEU28D, LYS10F, LYS9F, PHE91D, SER29D, SER30D, SER31D, SER94D, THR50D, TYR32D, TYR96D, VAL8F
• E-F: ALA32E, ARG25F, ARG94E, ARG98E, ASN15F, ASN52E, ASN95E, ASP100E, ASP39F, CYS12F, CYS18F, CYS28F, CYS41F, CYS7F, GLN11F, GLN14F, GLN35E, GLN36F, GLN58E, GLN6F, GLU26F, GLU27F, GLU37F, GLY100E, GLY33E, GLY38F, GLY55E, HIS53E, ILE2F, ILE34E, ILE51E, LYS10F, LYS29F, LYS40F, LYS9F, PHE29E, PHE99E, PRO13F, PRO57E, SER54E, THR28E, THR30E, THR31E, THR52E, TRP47E, TRP50E, TYR27E, TYR59E, TYR96E, TYR97E, VAL56E, VAL8F