3SYN

crystal structure of flhf in complex with its activator

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 23
  • Norm. En. per Res.: -4.2948
• Hub Node: A(5)

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	-101.5703	8.9502	-330.808	-423.4281	138	21	3	13323	0	59	53
A-D	0.0	19.1062	-108.996	-89.8898	61	4	4	5118	0	20	24
A-E	-11.2765	-2.8615	-117.047	-131.185	47	6	5	5352	0	11	16
A-F	-23.6796	-1.2983	-75.5356	-100.5135	24	8	2	2407	0	2	4
A-H	0.0	8.8009	-0.3633	8.4376	5	0	0	34	0	4	3
B-D	0.0	0.0	-0.0098	-0.0098	2	0	0	6	0	2	3
B-E	-24.2714	-1.2468	-73.2625	-98.7807	23	8	2	2316	0	2	4
B-F	-13.1356	-2.8713	-120.007	-136.0139	48	6	5	5496	0	12	16
C-D	-112.455	10.067	-355.632	-458.02	139	23	3	13744	0	60	53
C-G	-12.7102	-2.8835	-121.39	-136.9837	48	6	5	5503	0	12	16
C-H	-24.1553	-1.2753	-71.8601	-97.2907	24	8	2	2340	0	2	4
D-E	0.0	0.0	-0.2678	-0.2678	6	0	0	25	0	4	3
D-G	-21.3405	-1.2871	-73.4082	-96.0357	24	6	2	2316	0	2	4
D-H	-12.9293	-2.859	-119.834	-135.6223	49	7	5	5500	0	11	16
F-G	0.0	25.3891	-14.4791	10.91	14	1	0	855	0	14	12

Interface residues

• A-B: ALA186A, ALA186B, ALA193A, ALA193B, ALA218A, ALA218B, ALA219A, ALA219B, ALA227A, ALA227B, ALA261A, ALA261B, ALA292A, ALA292B, ALA294A, ALA294B, ARG216A, ARG216B, ARG263A, ARG263B, ARG305A, ARG366A, ARG366B, ASN264A, ASN264B, ASN344A, ASN344B, ASN347A, ASN347B, ASP213A, ASP213B, ASP267A, ASP267B, ASP298A, ASP298B, ASP320A, ASP320B, ASP351A, ASP351B, GLN222A, GLN222B, GLN346A, GLN346B, GLU121A, GLU121B, GLU126A, GLU126B, GLU221A, GLU221B, GLU297A, GLU297B, GLU321A, GLU321B, GLU350B, GLY123A, GLY123B, GLY182A, GLY182B, GLY185A, GLY185B, GLY187A, GLY187B, GLY262A, GLY262B, GLY326A, GLY326B, GLY345A, GLY345B, HIS301A, HIS301B, ILE217A, ILE217B, ILE302A, ILE302B, ILE319A, ILE319B, LEU223A, LEU223B, LEU229A, LEU229B, LEU325A, LEU325B, LYS188A, LYS188B, LYS224A, LYS224B, LYS266A, LYS266B, LYS295A, LYS295B, LYS300A, LYS300B, LYS318A, LYS318B, MET299A, MET299B, PHE265A, PHE265B, PHE329A, PHE329B, SER183A, SER183B, SER291A, SER291B, SER324A, SER324B, SER327A, SER327B, THR184A, THR184B, THR189A, THR189B, THR190A, THR190B, THR225A, THR225B, THR293A, THR293B, THR317A, THR317B, THR322A, THR322B, THR323A, THR323B, TYR215A, TYR215B, TYR226A, TYR226B, TYR270A, TYR270B, TYR296A, TYR296B, VAL220A, VAL220B, VAL328A, VAL328B, VAL348A, VAL348B
• A-D: ALA208A, ALA208D, ALA227A, ALA227D, ALA232A, ALA232D, ALA246A, ALA246D, GLN231A, GLN231D, GLN244D, GLN245A, GLN245D, GLU221A, GLU228A, GLU228D, GLU235A, GLU235D, GLU241D, GLU242A, GLU242D, GLU248A, GLU248D, GLU252A, GLU252D, ILE207A, LEU223A, LEU229A, LEU229D, LEU230A, LEU230D, LEU234A, LEU234D, LEU249A, LEU249D, LYS176D, LYS206A, LYS206D, LYS224A, LYS224D, LYS247A, LYS247D, MET200A, MET200D, PHE209A, PHE209D, PHE250A, PHE250D, PRO233A, PRO233D, SER251A, SER251D, THR225A, THR225D, TYR226A, TYR238A, TYR253A, TYR253D, VAL220A, VAL236A, VAL236D
• A-E: ALA10E, ALA14E, ALA193A, ALA196A, ALA197A, ALA227A, ALA232A, ALA9E, ARG13E, ARG19E, ASN347A, ASP351A, ASP7E, GLN222A, GLN231A, GLN346A, GLN8E, GLU17E, GLU202A, GLU20E, GLU228A, GLU350A, GLY187A, GLY345A, HIS204A, ILE198A, ILE207A, LEU12E, LEU201A, LEU229A, LEU230A, LYS15E, LYS18E, LYS194A, LYS205A, LYS206A, MET16E, MET200A, PHE209A, PRO349A, THR11E, THR189A, THR190A, THR191A, THR225A, TYR226A, VAL348A
• A-F: ALA10F, ALA218A, ALA219A, ALA261A, ALA9F, ARG13F, ARG216A, ARG263A, ASP213A, ASP7F, CYS237A, GLN8F, GLU273A, GLY262A, ILE217A, LEU12F, THR11F, THR184A, THR212A, THR214A, TYR215A, TYR238A, TYR270A, TYR6F
• A-H: ARG19H, GLU20H, GLU248A, GLU252A, SER251A
• B-D: GLN245D, GLU221B
• B-E: ALA10E, ALA218B, ALA219B, ALA261B, ALA9E, ARG13E, ARG216B, ARG263B, ASP213B, ASP7E, CYS237B, GLN8E, GLU273B, ILE217B, LEU12E, THR11E, THR184B, THR212B, THR214B, TYR215B, TYR238B, TYR270B, TYR6E
• B-F: ALA10F, ALA14F, ALA193B, ALA196B, ALA197B, ALA227B, ALA232B, ALA9F, ARG13F, ARG19F, ASN347B, ASP351B, ASP7F, GLN222B, GLN231B, GLN346B, GLN8F, GLU17F, GLU202B, GLU20F, GLU228B, GLU350B, GLY187B, GLY345B, HIS204B, ILE198B, ILE207B, LEU12F, LEU201B, LEU229B, LEU230B, LYS15F, LYS18F, LYS194B, LYS205B, LYS206B, MET16F, MET200B, PHE209B, PRO349B, THR11F, THR189B, THR190B, THR191B, THR225B, TYR226B, TYR6F, VAL348B
• C-D: ALA186C, ALA186D, ALA193C, ALA193D, ALA218C, ALA218D, ALA219C, ALA219D, ALA227C, ALA227D, ALA261C, ALA261D, ALA292C, ALA292D, ALA294C, ALA294D, ARG216C, ARG216D, ARG263C, ARG263D, ARG305C, ARG305D, ARG366C, ARG366D, ASN264C, ASN264D, ASN344C, ASN344D, ASN347C, ASN347D, ASP213C, ASP213D, ASP267C, ASP267D, ASP298C, ASP298D, ASP320C, ASP320D, ASP351C, ASP351D, GLN222C, GLN222D, GLN346C, GLN346D, GLU121C, GLU121D, GLU126C, GLU126D, GLU221C, GLU221D, GLU297C, GLU297D, GLU321C, GLU321D, GLY123C, GLY123D, GLY182C, GLY182D, GLY185C, GLY185D, GLY187C, GLY187D, GLY262C, GLY262D, GLY326C, GLY326D, GLY345C, GLY345D, HIS301C, HIS301D, ILE217C, ILE217D, ILE302C, ILE302D, ILE319C, ILE319D, LEU223C, LEU223D, LEU229C, LEU229D, LEU325C, LEU325D, LYS188C, LYS188D, LYS194D, LYS224C, LYS224D, LYS266C, LYS266D, LYS295C, LYS295D, LYS300C, LYS300D, LYS318C, LYS318D, MET299C, MET299D, PHE265C, PHE265D, PHE329C, PHE329D, SER183C, SER183D, SER291C, SER291D, SER324C, SER324D, SER327C, SER327D, THR184C, THR184D, THR189C, THR189D, THR190C, THR190D, THR225C, THR225D, THR293C, THR293D, THR317C, THR317D, THR322C, THR322D, THR323C, THR323D, TYR215C, TYR215D, TYR226C, TYR226D, TYR270C, TYR270D, TYR296C, TYR296D, VAL220C, VAL220D, VAL328C, VAL328D, VAL348C, VAL348D
• C-G: ALA10G, ALA14G, ALA193C, ALA196C, ALA197C, ALA227C, ALA232C, ALA9G, ARG13G, ARG19G, ASN347C, ASP351C, ASP7G, GLN222C, GLN231C, GLN346C, GLN8G, GLU17G, GLU202C, GLU20G, GLU228C, GLU350C, GLY187C, GLY345C, HIS204C, ILE198C, ILE207C, LEU12G, LEU201C, LEU229C, LEU230C, LYS15G, LYS18G, LYS194C, LYS205C, LYS206C, MET16G, MET200C, PHE209C, PRO349C, SER199C, THR11G, THR189C, THR190C, THR191C, THR225C, TYR226C, VAL348C
• C-H: ALA10H, ALA218C, ALA219C, ALA261C, ALA9H, ARG13H, ARG216C, ARG263C, ASP213C, ASP7H, CYS237C, GLN8H, GLU273C, ILE217C, LEU12H, THR11H, THR184C, THR212C, THR214C, THR277C, TYR215C, TYR238C, TYR270C, TYR6H
• D-E: ARG19E, GLU20E, GLU248D, GLU252D, MET16E, SER251D
• D-G: ALA10G, ALA218D, ALA219D, ALA261D, ALA9G, ARG13G, ARG216D, ARG263D, ASP213D, ASP7G, CYS237D, GLN8G, GLU273D, ILE217D, LEU12G, THR11G, THR184D, THR212D, THR214D, THR277D, TYR215D, TYR238D, TYR270D, TYR6G
• D-H: ALA10H, ALA14H, ALA193D, ALA196D, ALA197D, ALA227D, ALA232D, ALA9H, ARG13H, ARG19H, ASN347D, ASP351D, ASP7H, GLN222D, GLN231D, GLN346D, GLN8H, GLU17H, GLU202D, GLU20H, GLU228D, GLU350D, GLY187D, GLY345D, HIS204D, ILE198D, ILE207D, LEU12H, LEU201D, LEU229D, LEU230D, LYS15H, LYS18H, LYS194D, LYS205D, LYS206D, MET16H, MET200D, PHE209D, PRO349D, SER199D, THR11H, THR189D, THR190D, THR191D, THR225D, TYR226D, TYR6H, VAL348D
• F-G: ALA14F, ALA14G, ARG13G, ARG19G, ARG21F, ARG21G, GLU17F, GLU17G, LYS15F, LYS15G, LYS18F, LYS18G, MET16G, THR11G