2YIP

crystal structure of parasite sarcocystis muris microneme protein sml-2 in complex with 1-thio-beta-d-galactose ( spacegroup p212121)

• Total interactions analyzed: 15
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 173
  • Norm. En. per Res.: -4.7322
• Hub Node: C(2)

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	-121.7403	18.3267	-693.661	-797.0746	174	14	7	22947	0	5	7
C-D	-135.2428	15.5856	-699.013	-818.6702	173	19	5	23281	0	5	7
C-E	0.0	0.0	-0.3547	-0.3547	5	0	0	50	0	0	0
E-F	-118.0622	15.0037	-704.481	-807.5396	173	11	7	23241	0	6	7

Interface residues

• A-B: ALA105A, ALA105B, ALA109A, ALA109B, ALA110A, ALA110B, ALA11A, ALA11B, ALA60A, ALA60B, ALA62A, ALA62B, ALA85A, ALA85B, ALA95A, ALA95B, ARG76A, ARG76B, ASN81A, ASN81B, ASN91A, ASN91B, ASP118A, ASP118B, ASP84A, ASP84B, ASP89A, ASP89B, ASP98A, ASP98B, CYS107A, CYS107B, CYS111A, CYS111B, CYS117A, CYS117B, CYS127A, CYS127B, CYS38A, CYS38B, CYS44A, CYS44B, CYS78A, CYS78B, CYS82A, CYS82B, CYS86A, CYS86B, CYS9A, CYS9B, GLN102A, GLN102B, GLN123A, GLN123B, GLN132A, GLN132B, GLN39A, GLN39B, GLU64A, GLU64B, GLU79A, GLU79B, GLY101A, GLY101B, GLY113A, GLY113B, GLY116B, GLY124A, GLY124B, GLY17A, GLY17B, GLY61A, GLY61B, GLY74A, GLY74B, GLY90A, GLY90B, HIS46A, HIS46B, HIS80A, HIS80B, ILE16A, ILE16B, LEU106A, LEU106B, LEU119A, LEU119B, LEU129A, LEU129B, LEU23A, LEU23B, LEU41A, LEU41B, LYS128A, LYS128B, LYS14A, LYS14B, LYS59A, LYS59B, MET112A, MET112B, MET125B, MET35A, MET35B, MET72A, MET72B, MET88A, MET88B, PHE10A, PHE10B, PHE122A, PHE122B, PHE47A, PHE47B, PHE65A, PHE65B, PRO103A, PRO103B, PRO104A, PRO104B, PRO115A, PRO115B, PRO42A, PRO42B, PRO63A, PRO63B, PRO75A, PRO75B, SER100A, SER100B, SER131A, SER131B, SER134A, SER134B, SER18A, SER18B, SER45A, SER45B, SER77A, SER77B, SER83A, SER83B, SER8A, SER8B, THR114A, THR114B, THR121A, THR121B, THR126A, THR126B, THR133A, THR133B, THR20A, THR20B, THR43A, THR43B, THR48A, THR48B, THR73A, THR73B, TRP108A, TRP108B, TRP87A, TRP87B, TRP97A, TRP97B, TYR120A, TYR120B, TYR130A, TYR130B, TYR66A, TYR66B, TYR99A, TYR99B
• C-D: ALA105C, ALA105D, ALA109C, ALA109D, ALA110C, ALA110D, ALA11C, ALA11D, ALA60C, ALA60D, ALA62C, ALA62D, ALA85C, ALA85D, ALA95C, ALA95D, ARG76C, ARG76D, ASN81C, ASN81D, ASN91C, ASN91D, ASP118C, ASP118D, ASP84C, ASP84D, ASP89C, ASP89D, ASP98C, ASP98D, CYS107C, CYS107D, CYS111C, CYS111D, CYS117C, CYS117D, CYS127C, CYS127D, CYS38C, CYS38D, CYS44C, CYS44D, CYS78C, CYS78D, CYS82C, CYS82D, CYS86C, CYS86D, CYS9C, CYS9D, GLN102C, GLN102D, GLN123C, GLN123D, GLN132C, GLN132D, GLN39C, GLN39D, GLU64C, GLU64D, GLU79C, GLU79D, GLY101C, GLY101D, GLY113C, GLY113D, GLY116C, GLY124C, GLY124D, GLY17C, GLY17D, GLY61C, GLY61D, GLY74C, GLY74D, GLY90C, GLY90D, HIS46C, HIS46D, HIS80C, HIS80D, ILE16C, ILE16D, LEU106C, LEU106D, LEU119C, LEU119D, LEU129C, LEU129D, LEU23C, LEU23D, LEU41C, LEU41D, LYS128C, LYS128D, LYS14C, LYS14D, LYS59C, LYS59D, MET112C, MET112D, MET125C, MET35C, MET35D, MET72C, MET72D, MET88C, MET88D, PHE10C, PHE10D, PHE122C, PHE122D, PHE47C, PHE47D, PHE65C, PHE65D, PRO103C, PRO103D, PRO104C, PRO104D, PRO115C, PRO115D, PRO42C, PRO42D, PRO63C, PRO63D, PRO75C, PRO75D, SER100C, SER100D, SER131C, SER131D, SER134C, SER134D, SER18C, SER18D, SER45C, SER45D, SER77C, SER77D, SER83C, SER83D, SER8C, SER8D, THR114C, THR114D, THR121C, THR121D, THR126C, THR126D, THR133C, THR133D, THR20C, THR20D, THR43C, THR43D, THR48D, THR73C, THR73D, TRP108C, TRP108D, TRP87C, TRP87D, TRP97C, TRP97D, TYR120C, TYR120D, TYR130C, TYR130D, TYR66C, TYR66D, TYR99C, TYR99D
• C-E: ASN15E, SER134C, THR67E, THR69E, TYR68E
• E-F: ALA105E, ALA105F, ALA109E, ALA109F, ALA110E, ALA110F, ALA11E, ALA11F, ALA60E, ALA60F, ALA62E, ALA62F, ALA85E, ALA85F, ALA95E, ALA95F, ARG76E, ARG76F, ASN81E, ASN81F, ASN91E, ASN91F, ASP118E, ASP118F, ASP84E, ASP84F, ASP89E, ASP89F, ASP98E, ASP98F, CYS107E, CYS107F, CYS111E, CYS111F, CYS117E, CYS117F, CYS127E, CYS127F, CYS38E, CYS38F, CYS44E, CYS44F, CYS78E, CYS78F, CYS82E, CYS82F, CYS86E, CYS86F, CYS9E, CYS9F, GLN102E, GLN102F, GLN123E, GLN123F, GLN132E, GLN132F, GLN39E, GLN39F, GLU64E, GLU64F, GLU79E, GLU79F, GLY101E, GLY101F, GLY113E, GLY113F, GLY124E, GLY124F, GLY17E, GLY17F, GLY61E, GLY61F, GLY74E, GLY74F, GLY90E, GLY90F, HIS46E, HIS46F, HIS80E, HIS80F, ILE16E, ILE16F, LEU106E, LEU106F, LEU119E, LEU119F, LEU129E, LEU129F, LEU23E, LEU23F, LEU41E, LEU41F, LYS128E, LYS128F, LYS14E, LYS14F, LYS59E, LYS59F, MET112E, MET112F, MET125E, MET125F, MET35E, MET35F, MET72E, MET72F, MET88E, MET88F, PHE10E, PHE10F, PHE122E, PHE122F, PHE47E, PHE47F, PHE65E, PHE65F, PRO103E, PRO103F, PRO104E, PRO104F, PRO115E, PRO115F, PRO42E, PRO42F, PRO63E, PRO63F, PRO75E, PRO75F, SER100E, SER100F, SER131E, SER131F, SER134E, SER134F, SER18E, SER18F, SER45E, SER45F, SER77E, SER77F, SER83E, SER83F, SER8E, SER8F, THR114E, THR114F, THR121E, THR121F, THR126E, THR126F, THR133E, THR133F, THR20E, THR20F, THR43E, THR43F, THR48E, THR73E, THR73F, TRP108E, TRP108F, TRP87E, TRP87F, TRP97E, TRP97F, TYR120E, TYR120F, TYR130E, TYR130F, TYR66E, TYR66F, TYR99E, TYR99F