2RA2

x-ray structure of the q7cpv8 protein from salmonella typhimurium at the resolution 1.9 a. northeast structural genomics consortium target str88a

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 52
  • Norm. En. per Res.: -5.1498
• Hub Node: C(3)

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-D	0.0	0.0	-7.4882	-7.4882	16	0	0	408	0	4	2
A-F	-79.7354	-60.121	-127.932	-267.7884	52	9	0	5045	8	21	20
B-C	0.0	17.2573	-22.1392	-4.8819	11	0	0	509	0	2	4
B-E	0.0	0.0	-6.4957	-6.4957	16	0	0	369	0	4	2
B-F	-56.2315	-30.5055	-102.5	-189.237	48	6	0	4392	7	19	19
C-D	-58.1296	-39.7628	-101.901	-199.7934	53	8	0	4500	6	18	17
C-E	-60.3969	-20.9285	-106.564	-187.8894	47	6	0	4408	5	17	18
C-F	0.0	0.0	-8.5519	-8.5519	21	2	0	440	0	4	2
D-F	0.0	17.257	-23.1886	-5.9316	10	0	0	514	0	2	4

Interface residues

• A-D: ASN26A, ASN26D, ASP25D, ASP27A, ASP27D, GLN23A, GLN23D, LYS21A, LYS21D, LYS34A, LYS40A, PRO22A, PRO22D, SER2D, THR24A, THR24D
• A-F: ALA53A, ARG14F, ARG45A, ARG45F, ASN11A, ASN11F, ASN26A, ASN26F, ASN39F, ASN44A, ASN44F, ASP12F, ASP25A, ASP25F, ASP27F, ASP35F, ASP47A, ASP47F, GLN23A, GLN41F, GLN42F, GLU50A, GLU55A, GLY13F, GLY29A, GLY29F, HIS9A, ILE16F, ILE31A, ILE31F, ILE43F, LEU54A, LYS21A, LYS40F, LYS49A, PRO22A, PRO4A, SER32A, SER32F, THR10F, THR24A, THR24F, THR28F, THR46A, THR46F, TYR33A, TYR33F, TYR6A, VAL48A, VAL48F, VAL52A, VAL7A
• B-C: ASN26B, ASN26C, ASP25B, ASP25C, ASP27B, ASP27C, GLN23B, GLY29B, GLY29C, THR28B, THR28C
• B-E: ASN26B, ASN26E, ASP25B, ASP27B, ASP27E, GLN23B, GLN23E, LYS21B, LYS21E, LYS34E, LYS40E, PRO22B, PRO22E, SER2B, THR24B, THR24E
• B-F: ALA53F, ARG14B, ARG45B, ARG45F, ASN11B, ASN11F, ASN26B, ASN39B, ASN44B, ASN44F, ASP12B, ASP25B, ASP25F, ASP27B, ASP35B, ASP47B, ASP47F, GLN23B, GLN23F, GLN41B, GLN42B, GLU50F, GLY29B, GLY29F, HIS9F, ILE16B, ILE31B, ILE31F, ILE43B, LYS21F, LYS40B, LYS49F, PRO22F, SER32B, SER32F, THR10B, THR24B, THR24F, THR28B, THR46B, THR46F, TYR33B, TYR33F, TYR6F, VAL48B, VAL48F, VAL52F, VAL7F
• C-D: ALA53C, ARG14D, ARG45C, ARG45D, ASN11C, ASN11D, ASN26D, ASN37D, ASN39D, ASN44C, ASN44D, ASN56C, ASP12D, ASP25C, ASP25D, ASP27D, ASP35D, ASP47C, ASP47D, GLN23C, GLN41D, GLN42D, GLU50C, GLY13D, GLY29C, GLY29D, GLY38D, HIS9C, ILE16D, ILE31C, ILE31D, ILE43D, LEU57C, LYS21C, LYS34D, LYS40D, LYS49C, PRO22C, SER32C, SER32D, THR10D, THR24C, THR24D, THR28D, THR46C, THR46D, TYR33C, TYR33D, TYR6C, VAL48C, VAL48D, VAL52C, VAL7C
• C-E: ALA53E, ARG14C, ARG45C, ARG45E, ASN11C, ASN11E, ASN26C, ASN39C, ASN44C, ASN44E, ASP12C, ASP25C, ASP25E, ASP27C, ASP35C, ASP47C, ASP47E, GLN23E, GLN41C, GLN42C, GLU50E, GLY29C, GLY29E, HIS9E, ILE16C, ILE31C, ILE31E, ILE43C, LYS21E, LYS40C, LYS49E, PRO22E, SER32C, SER32E, THR10C, THR24C, THR24E, THR28C, THR46C, THR46E, TYR33C, TYR33E, TYR6E, VAL48C, VAL48E, VAL52E, VAL7E
• C-F: ASN26C, ASN26F, ASP25C, ASP25F, ASP27C, ASP27F, GLN23C, GLN23F, GLY3C, GLY3F, LYS21C, LYS21F, LYS34C, LYS34F, LYS40C, LYS40F, PRO22C, PRO22F, PRO4F, THR24C, THR24F
• D-F: ASN26D, ASN26F, ASP25D, ASP25F, ASP27D, ASP27F, GLY29D, GLY29F, THR28D, THR28F