3Q6A

x-ray crystal structure of the protein ssp2350 from staphylococcus saprophyticus, northeast structural genomics consortium target syr116

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-H
  • Int. Res.: 91
  • Norm. En. per Res.: -3.1243
• 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	-14.4341	-2.0902	-60.6479	-77.1722	39	1	0	2278	0	17	20
A-D	-27.4519	-19.4387	-196.53	-243.4206	82	8	12	9189	2	24	25
A-G	-10.9827	-9.4433	-12.7339	-33.1598	32	1	0	820	1	10	21
A-H	0.0	0.0	-1.4961	-1.4961	6	0	0	188	0	0	3
B-C	-30.7564	-20.7239	-200.218	-251.6983	83	10	12	9373	2	24	25
B-E	0.0	9.5932	-6.4383	3.1549	20	0	0	367	0	13	15
B-H	-6.5002	3.8915	-4.9956	-7.6043	12	0	0	307	0	7	8
D-H	0.0	0.0	-0.009	-0.009	4	0	0	7	0	2	4
E-G	-35.1369	11.6597	-107.094	-130.5712	51	3	2	3782	2	23	28
E-H	-18.3783	-22.6551	-243.274	-284.3074	91	12	15	11449	2	27	25
F-G	-28.1979	-26.5274	-222.102	-276.8273	91	12	16	10896	2	28	24

Interface residues

• A-B: ALA19B, ALA74A, ALA86B, ARG13B, ARG37B, ASN56A, ASN58A, ASN65B, ASP10B, ASP96A, ASP98A, GLN8B, GLU124B, GLU14B, GLU18B, GLU60A, GLU83B, GLU85B, GLY73A, GLY87B, HIS75A, ILE44A, ILE57A, LEU55A, LYS25B, PHE17B, PHE70A, PRO12B, PRO76A, SER84B, THR15B, THR43A, THR45A, THR71A, THR88B, TRP72A, VAL11B, VAL16B, VAL9B
• A-D: ALA131A, ALA131D, ARG130A, ARG130D, ASP10A, ASP10D, ASP2A, ASP2D, ASP98A, ASP98D, CYS118A, CYS118D, GLN100A, GLN100D, GLN104A, GLN104D, GLN108A, GLN108D, GLN8A, GLN8D, GLU110A, GLU110D, GLU124A, GLU124D, GLY107A, GLY107D, GLY111A, GLY111D, GLY126A, GLY126D, HIS125A, HIS125D, ILE129A, ILE129D, ILE3A, ILE3D, ILE4A, ILE4D, LEU105A, LEU105D, LEU106A, LEU106D, LEU116A, LEU116D, LEU119A, LEU119D, LEU123A, LEU123D, LYS103A, LYS103D, LYS109A, LYS109D, LYS120A, LYS120D, LYS6A, LYS6D, PHE97A, PHE97D, SER117A, SER117D, THR128A, THR128D, THR5A, THR5D, THR99A, THR99D, TRP112A, TRP112D, TYR114A, TYR114D, TYR122A, TYR122D, VAL102A, VAL102D, VAL113A, VAL113D, VAL121A, VAL121D, VAL127A, VAL127D, VAL9A, VAL9D
• A-G: ARG13A, ARG37G, ARG47G, ARG61A, ASP22G, ASP2A, ASP2A5, CB9.12576-17.44419, CB9.6417327.93709, GLN66A, GLN80A, GLU24G, GLU36G, GLU49G, GLU82A, ILE44G, ILE4A, LEU46G, LEU67A, LYS25G, LYS6A, LYS95A, PRO23G, SER32G, SER33G, SER34G, SER35G, THR45G, THR78A, THR91A, THR93A, VAL89A
• A-H: ASP98A, ASP98H, GLN100A, GLN100H, THR99A, THR99H
• B-C: ALA131B, ALA131C, ARG130B, ARG130C, ASP101B, ASP10B, ASP10C, ASP2B, ASP2C, ASP98B, ASP98C, CYS118B, CYS118C, GLN100B, GLN100C, GLN104B, GLN104C, GLN108B, GLN108C, GLN8B, GLN8C, GLU110B, GLU110C, GLU124B, GLU124C, GLY107B, GLY107C, GLY111B, GLY111C, GLY126B, GLY126C, HIS125B, HIS125C, ILE129B, ILE129C, ILE3B, ILE3C, ILE4B, ILE4C, LEU105B, LEU105C, LEU106B, LEU106C, LEU116B, LEU116C, LEU119B, LEU119C, LEU123B, LEU123C, LYS103B, LYS103C, LYS109B, LYS109C, LYS120B, LYS120C, LYS6B, LYS6C, PHE97B, PHE97C, SER117B, SER117C, THR128B, THR128C, THR5B, THR5C, THR99B, THR99C, TRP112B, TRP112C, TYR114B, TYR114C, TYR122B, TYR122C, VAL102B, VAL102C, VAL113B, VAL113C, VAL121B, VAL121C, VAL127B, VAL127C, VAL9B, VAL9C
• B-E: ARG47B, ASP22B, ASP2E, ASP52B, ASP96E, ASP98E, GLN100E, GLN80E, GLU24B, GLU49B, GLU54B, ILE4E, LYS6E, LYS95E, PHE97E, PRO23B, SER32B, SER33B, THR93E, THR99E
• B-H: ARG37B, ARG47B, ASP101H, GLU24B, GLU36B, LYS103H, PRO23B, SER33B, SER34B, SER35B, THR45B, VAL102H
• D-H: ASP2H, ASP96H, GLN100D, PHE97H
• E-G: ALA53E, ALA74E, ALA86G, ARG13G, ARG37G, ASN56E, ASN58E, ASN65G, ASP101E, ASP10G, ASP64G, ASP96E, ASP98E, GLN100E, GLN104E, GLN108E, GLN8G, GLU14G, GLU18G, GLU54E, GLU60E, GLU82G, GLU83G, GLU85G, GLU94E, GLY73E, GLY87G, HIS75E, ILE44E, ILE57E, ILE59E, ILE77E, LEU105E, LEU55E, LYS103E, LYS95E, PHE17G, PHE70E, PHE97E, PRO12G, PRO76E, SER84G, THR15G, THR43E, THR71E, THR88G, TRP72E, VAL11G, VAL16G, VAL89G, VAL9G
• E-H: ALA131E, ALA131H, ALA132E, ARG130E, ARG130H, ASP101E, ASP101H, ASP10E, ASP10H, ASP2E, ASP2H, ASP98E, ASP98H, CYS118E, CYS118H, GLN100E, GLN100H, GLN104E, GLN104H, GLN108E, GLN108H, GLN8E, GLN8H, GLU110E, GLU110H, GLU124E, GLU124H, GLY107E, GLY107H, GLY111E, GLY111H, GLY126E, GLY126H, HIS125E, HIS125H, ILE129E, ILE129H, ILE133E, ILE3E, ILE3H, ILE4E, ILE4H, LEU105E, LEU105H, LEU106E, LEU106H, LEU116E, LEU116H, LEU119E, LEU119H, LEU123E, LEU134E, LYS103E, LYS103H, LYS109E, LYS109H, LYS120E, LYS120H, LYS6E, LYS6H, PHE97E, PHE97H, SER117E, SER117H, SER84H, THR128E, THR128H, THR5E, THR5H, THR88H, THR91H, THR99E, THR99H, TRP112E, TRP112H, TYR114E, TYR114H, TYR122E, TYR122H, VAL102E, VAL102H, VAL113E, VAL113H, VAL121E, VAL121H, VAL127E, VAL127H, VAL89H, VAL90H, VAL9E, VAL9H
• F-G: ALA131F, ALA131G, ALA132G, ARG130F, ARG130G, ASP101F, ASP101G, ASP10F, ASP10G, ASP2F, ASP2G, ASP98F, CYS118F, CYS118G, GLN100F, GLN100G, GLN104F, GLN104G, GLN108F, GLN108G, GLN8F, GLN8G, GLU110F, GLU110G, GLU124F, GLU124G, GLU82F, GLY107F, GLY107G, GLY111F, GLY111G, GLY126F, GLY126G, HIS125F, HIS125G, ILE129F, ILE129G, ILE133G, ILE3F, ILE3G, ILE4F, ILE4G, LEU105F, LEU105G, LEU106F, LEU106G, LEU116F, LEU116G, LEU119F, LEU119G, LEU123G, LEU134G, LYS103F, LYS103G, LYS109F, LYS109G, LYS120F, LYS120G, LYS6F, LYS6G, PHE97F, PHE97G, SER117F, SER117G, SER84F, THR128F, THR128G, THR5F, THR5G, THR88F, THR91F, THR99F, THR99G, TRP112F, TRP112G, TYR114F, TYR114G, TYR122F, TYR122G, VAL102F, VAL102G, VAL113F, VAL113G, VAL121F, VAL121G, VAL127F, VAL127G, VAL89F, VAL90F, VAL9F, VAL9G