1O77

crystal structure of the c713s mutant of the tir domain of human tlr2

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 23
  • Norm. En. per Res.: -0.4628
• 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	-6.4555	-20.0344	585.294	558.8041	61	22	2	6411	1	30	31
A-C	-13.4571	-2.7804	642.152	625.9145	36	10	0	3221	0	16	22
A-E	0.0	-3.3205	-7.3231	-10.6436	23	1	0	819	0	9	4
B-D	-5.4184	-7.4542	662.073	649.2004	38	10	0	3053	0	15	20
C-D	-20.8131	-28.0171	632.898	584.0678	56	11	2	5378	0	30	26
C-E	0.0	22.2975	-4.3642	17.9333	7	0	0	235	0	6	4

Interface residues

• A-B: ARG677B, ARG723A, ARG748A, ARG753A, ASN688B, ASP678B, ASP687A, ASP687B, ASP691A, ASP691B, ASP718A, CYS640B, CYS673B, CYS750A, GLN747A, GLU664B, GLU694A, GLU694B, GLU711A, GLU716A, GLY682B, HIS675B, HIS721A, ILE639B, ILE680B, ILE685A, ILE685B, ILE686A, ILE686B, ILE689A, ILE689B, ILE690A, ILE690B, ILE693A, ILE693B, LEU672B, LEU674B, LEU717A, LEU752A, LYS671B, LYS683B, LYS695B, LYS714A, LYS751A, LYS754A, PHE644B, PHE670B, PHE679B, PHE719A, PHE722A, PHE725A, PHE749A, PRO669B, PRO681B, SER692B, SER713A, SER720A, TRP684A, TRP684B, TYR641B, TYR715A
• A-C: ARG748C, ARG753C, ASN688A, ASP642A, ASP678A, ASP687A, ASP691A, ASP718C, CYS640A, CYS673A, CYS750C, GLN747C, GLU694A, GLU716C, ILE639A, ILE680A, ILE690A, LEU672A, LEU717C, LEU752C, LYS671A, LYS683A, LYS695A, LYS709C, LYS714C, LYS751C, PHE679A, PHE719C, PHE749C, PRO681A, PRO746C, SER692A, SER713C, TRP712C, TYR641A, TYR715C
• A-E: ARG677A, ARG748E, ARG753E, ASN657A, ASN665A, ASN667A, CYS750E, GLN661A, GLN747E, GLU662A, GLU664A, GLU716E, LEU658A, LEU717E, LEU752E, LYS751E, LYS754E, PHE666A, PHE725E, PHE749E, PRO669A, TYR653A, VAL660A
• B-D: ARG748B, ARG753B, ASN688D, ASP642D, ASP678D, ASP687D, ASP691D, CYS640D, CYS673D, CYS750B, GLN747B, GLU664D, GLU694D, GLU716B, GLY682D, ILE639D, ILE680D, ILE690D, LEU672D, LEU717B, LEU752B, LYS671D, LYS683D, LYS695D, LYS714B, LYS751B, LYS754B, PHE670D, PHE679D, PHE749B, PRO681D, PRO746B, SER692D, SER696D, SER713B, TRP712B, TYR641D, TYR715B
• C-D: ARG677C, ARG723D, ARG748D, ARG753D, ASN688C, ASP678C, ASP687C, ASP687D, ASP691C, ASP718D, CYS640C, CYS673C, CYS750D, GLN747D, GLU664C, GLU694C, GLU716D, GLY682C, HIS675C, HIS721D, ILE639C, ILE680C, ILE685C, ILE685D, ILE686C, ILE686D, ILE689C, ILE689D, ILE690C, ILE690D, LEU672C, LEU674C, LEU717D, LEU724D, LYS671C, LYS683C, LYS695C, LYS714D, LYS751D, LYS754D, PHE644C, PHE679C, PHE719D, PHE722D, PHE725D, PHE749D, PRO669C, PRO681C, PRO746D, SER692C, SER713D, SER720D, TRP684C, TRP684D, TYR641C, TYR715D
• C-E: GLU694E, GLU741C, ILE690E, ILE693E, LYS742C, LYS743C, PHE719E