2G0J

crystal structure of smu.848 from streptococcus mutans

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 36
  • Norm. En. per Res.: -2.6134
• Hub Node: A(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-B	-5.7717	-0.1512	-211.244	-217.1669	102	10	23	10260	0	6	16
A-C	-2.427	39.7321	-36.484	0.8211	33	0	0	1784	0	10	16
A-D	0.0	0.0	-13.694	-13.694	11	0	0	543	0	0	1
B-C	-11.6371	5.1127	-87.5582	-94.0826	36	18	1	3141	0	12	10
B-D	-4.1234	-11.6253	-30.3712	-46.1199	26	1	2	1630	0	7	4
C-D	-2.1976	-3.0032	-240.776	-245.9768	103	20	24	11373	0	6	16

Interface residues

• A-B: ALA34A, ALA34B, ALA35A, ALA35B, ALA46A, ALA46B, ALA51A, ALA51B, ALA88A, ALA88B, ARG8A, ARG8B, ASN42A, ASN42B, ASN45A, ASN45B, ASN95A, ASN95B, ASN99A, ASN99B, ASP30A, ASP30B, ASP52B, ASP79A, ASP79B, CYS33A, CYS33B, GLN83A, GLN83B, GLU26A, GLU26B, GLU48A, GLU48B, GLU80A, GLU80B, GLU87A, GLU87B, GLU98B, GLY23A, GLY23B, GLY25A, GLY25B, GLY28A, GLY28B, GLY92A, GLY92B, ILE31A, ILE31B, ILE93A, ILE93B, LEU13A, LEU13B, LEU39A, LEU39B, LEU43A, LEU43B, LEU47A, LEU47B, LEU50A, LEU50B, LEU84A, LEU84B, LEU85A, LEU85B, LEU90A, LEU90B, LEU91A, LEU91B, LEU96A, LEU96B, LYS81A, LYS81B, MET41A, MET41B, PHE29A, PHE29B, PHE86A, PHE86B, PHE89A, PHE89B, SER24A, SER24B, SER37A, SER37B, SER40A, SER40B, THR38A, THR38B, THR94A, THR94B, TYR27A, TYR27B, VAL32A, VAL32B, VAL36A, VAL36B, VAL44A, VAL44B, VAL49A, VAL49B, VAL82A, VAL82B
• A-C: ALA22C, ALA46A, ALA51A, ASN76A, ASP30C, ASP52A, ASP60C, ASP63C, ASP79A, CYS33C, CYS53A, GLU26C, GLU61C, GLU80A, GLY-3C, GLY23C, GLY25C, GLY64C, GLY65C, HIS21C, LEU50A, LEU84A, LEU85A, LYS81A, MET-4C, PHE29C, PHE62C, SER0C, SER24C, THR54A, THR75A, TYR27C, VAL49A
• A-D: ALA51A, ASP52A, GLU26D, GLU48A, GLY28D, ILE31D, LEU50A, PHE103D, PHE29D, TYR27D, VAL49A
• B-C: ALA88B, ARG-2C, ARG8B, ASN76B, ASP30C, ASP79B, GLN83B, GLU26C, GLU80B, GLU87B, GLY-1C, GLY-3C, GLY11B, GLY25C, GLY28C, ILE108B, ILE12B, ILE31C, LEU13B, LEU84B, LEU85B, LEU90B, LYS10B, LYS77B, LYS81B, MET-4C, PHE103C, PHE29C, PHE86B, SER0C, SER24C, SER78B, THR110B, THR75B, TYR27C, VAL82B
• B-D: ALA106B, ALA22D, ARG8B, ASP30D, GLN111B, GLU26D, GLU87B, GLU98B, GLY11B, GLY23D, GLY25D, GLY28D, ILE108B, LEU13B, LEU84B, LEU90B, LEU91B, LYS107B, MET109B, PHE103D, PHE29D, PHE6B, SER24D, THR110B, THR94B, TYR27D
• C-D: ALA22C, ALA22D, ALA34C, ALA34D, ALA35C, ALA35D, ALA46C, ALA46D, ALA51C, ALA51D, ALA88C, ALA88D, ARG8C, ARG8D, ASN42C, ASN42D, ASN45C, ASN45D, ASN95C, ASN95D, ASN99C, ASN99D, ASP30C, ASP30D, ASP52C, ASP52D, ASP79C, ASP79D, CYS33C, CYS33D, GLN83C, GLN83D, GLU26C, GLU26D, GLU48C, GLU48D, GLU80C, GLU80D, GLU87C, GLU87D, GLY23C, GLY23D, GLY25C, GLY25D, GLY28C, GLY28D, GLY92C, GLY92D, ILE31C, ILE31D, ILE93C, ILE93D, LEU13D, LEU39C, LEU39D, LEU43C, LEU43D, LEU47C, LEU47D, LEU50C, LEU50D, LEU84C, LEU84D, LEU85C, LEU85D, LEU90C, LEU90D, LEU91C, LEU91D, LEU96C, LEU96D, LYS81C, LYS81D, MET41C, MET41D, PHE29C, PHE29D, PHE86C, PHE86D, PHE89C, PHE89D, SER24C, SER24D, SER37C, SER37D, SER40C, SER40D, THR38C, THR38D, THR94C, THR94D, TYR27C, TYR27D, VAL32C, VAL32D, VAL36C, VAL36D, VAL44C, VAL44D, VAL49C, VAL49D, VAL82C, VAL82D