2PX0

crystal structure of flhf complexed with gmppnp/mg(2+)

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 133
  • Norm. En. per Res.: -3.0203
• 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-E	-84.0267	25.2718	-315.834	-374.5889	139	39	3	13314	0	60	56
A-G	0.0	-18.0479	-38.042	-56.0899	33	1	0	1890	0	20	19
A-H	-19.8251	-36.3556	-43.8016	-99.9823	50	7	0	2352	3	25	15
B-F	-111.056	18.1526	-312.48	-405.3834	138	30	2	12910	0	59	51
B-G	0.0	-8.9799	-4.8351	-13.815	21	0	0	417	1	15	7
B-H	-2.2651	-23.2187	-62.1216	-87.6054	50	2	0	3037	2	29	21
C-E	0.0	0.0	-0.0184	-0.0184	5	0	0	10	0	0	1
C-F	-9.5772	3.393	-18.1668	-24.3509	24	0	0	972	0	14	10
C-G	-87.9339	25.3352	-339.107	-401.7056	133	40	2	13474	0	57	51
D-E	0.0	-16.6482	-15.3433	-31.9915	28	3	0	1146	0	10	9
D-H	-80.7269	36.1037	-322.95	-367.5732	134	27	3	12785	0	59	51
E-G	0.0	0.0	-0.022	-0.022	4	0	0	22	0	2	2

Interface residues

• A-E: ALA186A, ALA186E, ALA193A, ALA193E, ALA218A, ALA218E, ALA219A, ALA219E, ALA227A, ALA227E, ALA261A, ALA261E, ALA292A, ALA292E, ALA294A, ALA294E, ARG216A, ARG216E, ARG263A, ARG263E, ARG366A, ARG366E, ASN264A, ASN264E, ASN330A, ASN344A, ASN344E, ASN347A, ASN347E, ASP213E, ASP267A, ASP267E, ASP298A, ASP298E, ASP320A, ASP320E, ASP351A, ASP351E, GLN222A, GLN222E, GLN346A, GLN346E, GLU121A, GLU121E, GLU221A, GLU221E, GLU228E, GLU273E, GLU297A, GLU297E, GLU321A, GLU321E, GLU350A, GLY123A, GLY123E, GLY182A, GLY182E, GLY185A, GLY185E, GLY187A, GLY187E, GLY262A, GLY262E, GLY326A, GLY326E, GLY345A, GLY345E, HIS301A, HIS301E, ILE124E, ILE217A, ILE217E, ILE302A, ILE302E, ILE319A, ILE319E, LEU223A, LEU223E, LEU229A, LEU229E, LEU325A, LEU325E, LYS188E, LYS194A, LYS194E, LYS224A, LYS224E, LYS266A, LYS266E, LYS295A, LYS295E, LYS300A, LYS300E, LYS318A, LYS318E, MET299A, MET299E, PHE265A, PHE265E, PHE329A, PHE329E, SER183A, SER183E, SER291A, SER291E, SER324A, SER324E, SER327A, SER327E, THR184A, THR184E, THR189A, THR189E, THR190A, THR190E, THR225A, THR225E, THR293A, THR293E, THR317A, THR317E, THR322A, THR322E, THR323A, THR323E, TYR215A, TYR215E, TYR226A, TYR226E, TYR270A, TYR270E, TYR296A, TYR296E, VAL220A, VAL220E, VAL328A, VAL328E, VAL348A, VAL348E
• A-G: ALA246G, ALA333A, ARG138A, ASN131A, GLN244G, GLN245G, GLU126A, GLU142A, GLU241G, GLU242G, GLU248G, GLU252G, GLU297A, GLU334A, LEU249G, LYS125A, LYS134A, LYS135A, LYS206G, LYS240G, LYS247G, LYS300A, LYS304A, MET162A, PHE139A, PHE250G, SER127A, SER251G, THR128A, THR130A, THR132A, TYR253G, TYR296A
• A-H: ALA208A, ALA246A, ALA333H, ARG138H, ARG305H, ASN131H, GLN231A, GLN245A, GLU228A, GLU235A, GLU241A, GLU242A, GLU248A, GLU252A, GLU334H, ILE158H, ILE271H, ILE337H, LEU201A, LEU229A, LEU234A, LEU249A, LYS125H, LYS134H, LYS135H, LYS168H, LYS206A, LYS224A, LYS275H, LYS300H, LYS304H, LYS336H, MET162H, PHE250A, PHE306H, PRO164H, PRO233A, PRO310H, SER127H, SER165H, SER251A, SER307H, SER308H, SER335H, THR128H, THR132H, TYR253A, VAL236A, VAL303H, VAL309H
• B-F: ALA186B, ALA186F, ALA193B, ALA193F, ALA218B, ALA218F, ALA219B, ALA219F, ALA261B, ALA261F, ALA292B, ALA292F, ALA294B, ALA294F, ARG216B, ARG216F, ARG263B, ARG263F, ARG305F, ARG366B, ARG366F, ASN264B, ASN264F, ASN330F, ASN344B, ASN344F, ASN347B, ASN347F, ASP213B, ASP213F, ASP267B, ASP267F, ASP298B, ASP298F, ASP320B, ASP320F, ASP351B, ASP351F, GLN222B, GLN222F, GLN269F, GLN346B, GLN346F, GLU121B, GLU121F, GLU221B, GLU221F, GLU273F, GLU297B, GLU297F, GLU321B, GLU321F, GLU350F, GLY123B, GLY123F, GLY182F, GLY185B, GLY185F, GLY187B, GLY187F, GLY262B, GLY262F, GLY326B, GLY326F, GLY345B, GLY345F, HIS301B, HIS301F, ILE217B, ILE217F, ILE302B, ILE302F, ILE319B, ILE319F, LEU223B, LEU223F, LEU229B, LEU229F, LEU325B, LEU325F, LEU364B, LYS194B, LYS194F, LYS224B, LYS224F, LYS266B, LYS266F, LYS295B, LYS295F, LYS300B, LYS300F, LYS318B, LYS318F, MET299B, MET299F, PHE265B, PHE265F, PHE316B, PHE329B, PHE329F, SER183B, SER183F, SER291B, SER291F, SER324B, SER324F, SER327B, SER327F, THR122B, THR184B, THR184F, THR189B, THR189F, THR190B, THR190F, THR225B, THR225F, THR293B, THR293F, THR317F, THR322B, THR322F, THR323B, THR323F, TYR215B, TYR215F, TYR226B, TYR226F, TYR270B, TYR270F, TYR296B, TYR296F, VAL220B, VAL220F, VAL328B, VAL328F, VAL348B, VAL348F
• B-G: ARG138G, ASN131G, GLN231B, GLN245B, GLU228B, GLU235B, GLU241B, GLU242B, LEU229B, LEU234B, LEU249B, LYS135G, LYS168G, LYS224B, LYS336G, PHE250B, PRO233B, PRO310G, SER307G, SER308G, VAL236B
• B-H: ALA208H, ALA246H, ALA333B, ARG138B, ASN131B, ASP161B, GLN244H, GLN245H, GLU126B, GLU142B, GLU157B, GLU235H, GLU241H, GLU242H, GLU248H, GLU252H, GLU276H, GLU281H, GLU334B, ILE158B, LEU133B, LEU136B, LEU137B, LEU159B, LEU163B, LEU249H, LYS125B, LYS129B, LYS134B, LYS135B, LYS154B, LYS206H, LYS240H, LYS247H, LYS300B, LYS304B, LYS336B, MET162B, PHE139B, PHE250H, PRO233H, PRO279H, SER127B, SER251H, THR128B, THR130B, THR132B, TYR253H, TYR296B, VAL236H
• C-E: ARG113E, GLN231C, GLU110E, GLU228C, LEU229C
• C-F: ALA208F, ALA227F, ALA232F, ARG113C, GLN231F, GLU110C, GLU121C, GLU148C, GLU228F, GLU252F, ILE207F, LEU118C, LEU229F, LEU230F, LEU234F, LEU249F, LYS114C, LYS117C, LYS206F, MET200F, PHE250F, PRO109C, PRO233F, TYR253F
• C-G: ALA186C, ALA186G, ALA193C, ALA193G, ALA218C, ALA218G, ALA219C, ALA219G, ALA261C, ALA261G, ALA292C, ALA292G, ALA294C, ALA294G, ARG216C, ARG216G, ARG263C, ARG263G, ARG366C, ARG366G, ASN264C, ASN264G, ASN344C, ASN344G, ASN347C, ASN347G, ASP213G, ASP267G, ASP298C, ASP298G, ASP320C, ASP320G, ASP351C, ASP351G, GLN222C, GLN222G, GLN346C, GLN346G, GLU121C, GLU221C, GLU221G, GLU228G, GLU297C, GLU297G, GLU321C, GLU321G, GLU350G, GLY123C, GLY123G, GLY182C, GLY182G, GLY185C, GLY185G, GLY187C, GLY187G, GLY262C, GLY262G, GLY326C, GLY326G, GLY345C, GLY345G, HIS301C, HIS301G, ILE217C, ILE217G, ILE302C, ILE302G, ILE319C, ILE319G, LEU223C, LEU223G, LEU229C, LEU229G, LEU230C, LEU325C, LEU325G, LEU364G, LYS194C, LYS194G, LYS224C, LYS224G, LYS266C, LYS266G, LYS295C, LYS295G, LYS300C, LYS300G, LYS318C, LYS318G, MET299C, MET299G, PHE265C, PHE265G, PHE329C, PHE329G, SER183C, SER183G, SER291C, SER291G, SER324C, SER324G, SER327C, SER327G, THR184C, THR184G, THR189C, THR189G, THR190C, THR190G, THR191C, THR225C, THR225G, THR293C, THR293G, THR317C, THR322C, THR322G, THR323C, THR323G, TYR215C, TYR215G, TYR226C, TYR226G, TYR270C, TYR270G, TYR296C, TYR296G, VAL220C, VAL220G, VAL328C, VAL328G, VAL348C, VAL348G
• D-E: ALA227E, ALA232E, ARG113D, GLN231E, GLU110D, GLU148D, GLU149D, GLU228E, GLU235E, LEU223E, LEU229E, LEU230E, LEU234E, LEU249E, LYS114D, LYS117D, LYS224E, MET200E, PHE209E, PHE250E, PRO109D, PRO111D, PRO233E, THR147D, THR225E, TYR253E, VAL151D, VAL236E
• D-H: ALA186D, ALA186H, ALA193D, ALA193H, ALA218D, ALA218H, ALA219D, ALA219H, ALA227H, ALA261D, ALA261H, ALA292D, ALA292H, ALA294D, ALA294H, ARG216D, ARG216H, ARG263D, ARG263H, ARG366D, ARG366H, ASN264D, ASN264H, ASN344D, ASN347D, ASN347H, ASP213H, ASP267D, ASP267H, ASP298D, ASP298H, ASP320D, ASP320H, ASP351D, ASP351H, GLN222D, GLN222H, GLN346D, GLN346H, GLU121D, GLU121H, GLU126D, GLU126H, GLU221D, GLU221H, GLU273H, GLU297D, GLU297H, GLU321D, GLU321H, GLU350D, GLU350H, GLY123D, GLY123H, GLY182H, GLY185D, GLY185H, GLY187D, GLY187H, GLY262D, GLY262H, GLY326D, GLY326H, GLY345D, GLY345H, HIS301D, HIS301H, ILE217D, ILE217H, ILE302D, ILE302H, ILE319D, ILE319H, LEU223D, LEU223H, LEU229D, LEU229H, LEU290D, LEU325D, LEU325H, LYS194D, LYS224H, LYS266D, LYS266H, LYS295D, LYS295H, LYS300D, LYS300H, LYS318D, LYS318H, MET299D, MET299H, PHE265D, PHE265H, PHE329D, PHE329H, SER183D, SER183H, SER291D, SER291H, SER324D, SER324H, SER327D, SER327H, THR122H, THR184D, THR184H, THR189D, THR189H, THR190D, THR190H, THR225D, THR225H, THR293D, THR293H, THR317D, THR322D, THR322H, THR323D, THR323H, TYR215D, TYR215H, TYR226D, TYR226H, TYR270D, TYR270H, TYR296D, TYR296H, VAL220D, VAL220H, VAL328D, VAL328H, VAL348D, VAL348H
• E-G: ARG113E, LYS117E, THR239G, TYR238G