3KSF

structure of frmsr of staphylococcus aureus (reduced form)

• Total interactions analyzed: 28
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 90
  • Norm. En. per Res.: -4.7565
• Hub Node: A(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	-61.4627	-84.8528	-265.175	-411.4905	91	17	7	10385	14	16	11
A-F	0.0	0.0	-0.1932	-0.1932	8	0	0	60	0	2	0
C-D	-69.6782	-85.2364	-273.169	-428.0836	90	15	7	10451	13	16	11
C-E	-3.6473	-4.5139	-37.4198	-45.581	34	4	0	1696	0	15	19
D-G	-15.3262	3.8678	-52.0871	-63.5455	28	3	0	2066	0	6	11
E-F	-53.5414	-88.2055	-264.106	-405.8529	89	18	7	10439	14	16	11
G-H	-64.1917	-75.4108	-272.139	-411.7416	87	15	7	10400	10	16	10

Interface residues

• A-B: ALA28A, ALA28B, ALA35A, ALA35B, ALA67A, ALA67B, ASN32A, ASN32B, ASN38A, ASN38B, ASN40A, ASN40B, ASP22A, ASP22B, ASP39A, ASP39B, CYS68A, CYS68B, GLN15A, GLN15B, GLN54A, GLN54B, GLN63A, GLN63B, GLU21A, GLU21B, GLU23A, GLU23B, GLU53A, GLU53B, GLU56A, GLU56B, GLY48A, GLY48B, GLY60A, GLY60B, GLY64A, GLY64B, HIS24A, HIS24B, HIS25A, HIS25B, HIS65A, HIS65B, HIS70A, HIS70B, ILE20A, ILE20B, ILE27A, ILE27B, ILE29A, ILE29B, ILE58A, ILE58B, LEU19A, LEU19B, LEU30A, LEU30B, LEU36A, LEU36B, LEU37A, LEU37B, LEU51A, LEU51B, LEU52A, LEU59A, LEU59B, MET26A, MET26B, MET33A, MET33B, PHE49A, PHE49B, PHE62A, PHE62B, PRO61A, PRO61B, PRO66A, PRO66B, SER31A, SER31B, SER34A, SER34B, TRP46A, TRP46B, TYR50A, TYR50B, VAL47A, VAL47B, VAL69A, VAL69B
• A-F: ALA154A, ASN8F, ASP117A, ASP118A, LYS14F, LYS151A, PRO6F, THR10F
• C-D: ALA16C, ALA28C, ALA28D, ALA35C, ALA35D, ALA67C, ALA67D, ASN32C, ASN32D, ASN38C, ASN38D, ASN40C, ASN40D, ASP22C, ASP22D, ASP39C, ASP39D, CYS68C, CYS68D, GLN15C, GLN15D, GLN54C, GLN54D, GLN63C, GLN63D, GLU21C, GLU21D, GLU23C, GLU23D, GLU53C, GLU53D, GLU56D, GLY48C, GLY48D, GLY60C, GLY60D, GLY64C, GLY64D, HIS24C, HIS24D, HIS25C, HIS25D, HIS65C, HIS65D, HIS70C, HIS70D, ILE20C, ILE20D, ILE27C, ILE27D, ILE29C, ILE29D, ILE58C, ILE58D, LEU19C, LEU19D, LEU30C, LEU30D, LEU36C, LEU36D, LEU37C, LEU37D, LEU51C, LEU51D, LEU59C, LEU59D, MET26C, MET26D, MET33C, MET33D, PHE49C, PHE49D, PHE62C, PHE62D, PRO61C, PRO61D, PRO66C, PRO66D, SER31C, SER31D, SER34C, SER34D, TRP46C, TRP46D, TYR50C, TYR50D, VAL47C, VAL47D, VAL69C, VAL69D
• C-E: ALA101E, ALA154C, ALA16C, ALA17C, ASP117C, ASP118C, ASP22C, ASP92E, GLN152C, GLN95E, GLU150C, GLU21C, GLY98E, HIS24C, HIS94E, HIS99E, ILE100E, ILE148C, ILE149C, ILE20C, LEU153C, LYS107E, LYS116C, LYS13C, LYS147C, LYS14C, LYS151C, LYS97E, PHE115C, PHE96E, SER18C, THR131E, VAL146C, VAL93E
• D-G: ALA104G, ASN55D, ASP92G, CYS102G, GLN95G, GLU56D, GLY74D, GLY76D, GLY79D, GLY98D, GLY98G, HIS94G, HIS99D, HIS99G, ILE100D, ILE71D, ILE73D, LEU57D, LYS107G, LYS75D, LYS97D, LYS97G, PHE96D, PHE96G, PRO72D, SER83D, THR131G, VAL93G
• E-F: ALA16E, ALA28E, ALA28F, ALA35E, ALA35F, ALA67E, ALA67F, ASN32E, ASN32F, ASN38E, ASN38F, ASN40E, ASN40F, ASP22E, ASP22F, ASP39E, ASP39F, CYS68E, CYS68F, GLN15E, GLN15F, GLN54E, GLN54F, GLN63E, GLN63F, GLU21F, GLU23E, GLU23F, GLU53E, GLU53F, GLU56F, GLY48E, GLY48F, GLY60E, GLY60F, GLY64E, GLY64F, HIS24E, HIS24F, HIS25E, HIS25F, HIS65E, HIS65F, HIS70E, HIS70F, ILE20E, ILE20F, ILE27E, ILE27F, ILE29E, ILE29F, ILE58E, ILE58F, LEU19E, LEU19F, LEU30E, LEU30F, LEU36E, LEU36F, LEU37E, LEU37F, LEU51E, LEU51F, LEU59E, LEU59F, MET26E, MET26F, MET33E, MET33F, PHE49E, PHE49F, PHE62E, PHE62F, PRO61E, PRO61F, PRO66E, PRO66F, SER31E, SER31F, SER34E, SER34F, TRP46E, TRP46F, TYR50E, TYR50F, VAL47E, VAL47F, VAL69E, VAL69F
• G-H: ALA28G, ALA28H, ALA35G, ALA35H, ALA67G, ALA67H, ASN32G, ASN32H, ASN38G, ASN38H, ASN40G, ASN40H, ASP22H, ASP39G, ASP39H, CYS68G, CYS68H, GLN15G, GLN15H, GLN54G, GLN63G, GLN63H, GLU21H, GLU23G, GLU23H, GLU53G, GLU53H, GLU56G, GLY48G, GLY48H, GLY60G, GLY60H, GLY64G, GLY64H, HIS24G, HIS24H, HIS25G, HIS25H, HIS65G, HIS65H, HIS70G, HIS70H, ILE20G, ILE20H, ILE27G, ILE27H, ILE29G, ILE29H, ILE58G, ILE58H, LEU19G, LEU19H, LEU30G, LEU30H, LEU36G, LEU36H, LEU37G, LEU37H, LEU51G, LEU51H, LEU52H, LEU59G, LEU59H, MET26G, MET26H, MET33G, MET33H, PHE49G, PHE49H, PHE62G, PHE62H, PRO61G, PRO61H, PRO66G, PRO66H, SER31G, SER31H, SER34G, SER34H, TRP46G, TRP46H, TYR50G, TYR50H, VAL47G, VAL47H, VAL69G, VAL69H