2Q6T

crystal structure of the thermus aquaticus dnab monomer

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 216
  • Norm. En. per Res.: -3.2346
• 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	-93.6441	-90.3093	-355.577	-539.5304	182	26	10	15977	6	56	58
A-C	0.0	48.7068	-31.4042	17.3026	31	1	0	1040	0	4	19
A-D	-76.7485	-68.6212	-553.314	-698.6837	216	21	40	24654	6	51	50
B-C	-75.2541	-51.9854	-631.837	-759.0765	241	27	39	27547	7	70	68
B-D	-35.1078	-12.7018	-99.3207	-147.1303	51	9	1	3562	3	11	10
C-D	0.0	-1.0086	-8.6482	-9.6567	14	0	0	521	0	8	6

Interface residues

• A-B: ALA126A, ALA12B, ALA130A, ALA156A, ALA172A, ALA210B, ALA225B, ALA241B, ALA242B, ALA277B, ALA283B, ALA300B, ALA302B, ALA347A, ALA349A, ALA389A, ALA432B, ARG104B, ARG124A, ARG157A, ARG160A, ARG184A, ARG208B, ARG247B, ARG259B, ARG261B, ARG272B, ARG279B, ARG299A, ARG301B, ARG304B, ARG334B, ARG343A, ARG350A, ARG364B, ARG380A, ARG419A, ARG56A, ARG74A, ASN258B, ASN309B, ASN333B, ASN420A, ASP153A, ASP191A, ASP269B, ASP275B, ASP288B, ASP289B, ASP292B, ASP317B, ASP378A, ASP388A, ASP390A, CYS250B, GLN192A, GLN222B, GLN243B, GLN308B, GLN310B, GLN320B, GLN335A, GLN336A, GLN361B, GLN387A, GLN418A, GLN58A, GLU108B, GLU128A, GLU129A, GLU146A, GLU155A, GLU161A, GLU165A, GLU168A, GLU171A, GLU189A, GLU238B, GLU282B, GLU297B, GLU351A, GLU386A, GLU38A, GLY131A, GLY195A, GLY198A, GLY200A, GLY233B, GLY344A, GLY353A, GLY383A, GLY416A, GLY421A, GLY59A, HIS101B, HIS164A, HIS169A, ILE105B, ILE170A, ILE194A, ILE234B, ILE255B, ILE285B, ILE287B, ILE338B, ILE354A, LEU112B, LEU125A, LEU162A, LEU190A, LEU193A, LEU197A, LEU202A, LEU218B, LEU226B, LEU237B, LEU244B, LEU246B, LEU265B, LEU273B, LEU280B, LEU293B, LEU305B, LEU319B, LEU321B, LEU348A, LEU376A, LEU379A, LYS109B, LYS142A, LYS346A, LYS417A, MET123A, MET159A, MET239B, MET248B, MET249B, MET257B, MET322B, MET375A, PHE167A, PHE270B, PHE394A, PRO158A, PRO199A, PRO209B, PRO240B, PRO284B, PRO291B, PRO422A, SER201A, SER236B, SER271B, SER278B, SER281B, SER323B, SER377A, SER382B, SER384A, SER57A, SER9B, THR154A, THR166A, THR196A, THR214B, THR245B, THR290B, THR423A, TYR102B, TYR127A, TYR235B, TYR286B, TYR318B, TYR400B, TYR98B, VAL163A, VAL232B, VAL260B, VAL274B, VAL276B, VAL311B, VAL435B
• A-C: ALA130A, ALA130C, ARG114C, ARG124C, ASN333A, ASP134A, ASP134C, GLN117C, GLN336A, GLU121C, GLU128C, GLU129A, GLU129C, GLU135A, GLU135C, GLU146C, GLU337A, GLY131A, GLY131C, GLY324A, ILE136A, ILE136C, LEU125C, LEU133A, LEU133C, LYS142C, LYS143C, PRO325A, SER132A, SER132C, THR139C
• A-D: ALA107A, ALA107D, ALA118A, ALA118D, ALA119A, ALA119D, ALA122A, ALA122D, ALA126A, ALA126D, ALA130A, ALA130D, ALA140A, ALA140D, ALA148A, ALA148D, ALA156D, ALA172D, ALA221A, ALA225A, ALA241A, ALA242A, ALA277A, ALA283A, ALA300A, ALA302A, ALA349D, ARG104A, ARG104D, ARG113A, ARG113D, ARG114A, ARG114D, ARG124A, ARG124D, ARG157D, ARG160D, ARG247A, ARG259A, ARG261A, ARG268A, ARG272A, ARG279A, ARG299A, ARG301A, ARG303A, ARG303D, ARG304A, ARG304D, ARG350D, ARG419D, ASN309A, ASN309D, ASN420D, ASP134A, ASP134D, ASP138A, ASP138D, ASP267A, ASP269A, ASP275A, ASP288A, ASP289A, CYS250A, GLN117A, GLN117D, GLN222A, GLN243A, GLN264A, GLN308A, GLN308D, GLN310D, GLU108A, GLU108D, GLU121A, GLU121D, GLU128A, GLU128D, GLU129A, GLU129D, GLU135D, GLU146A, GLU146D, GLU155D, GLU161D, GLU165D, GLU171D, GLU282A, GLU297A, GLU351A, GLU351D, GLY120A, GLY120D, GLY131A, GLY131D, GLY141A, GLY141D, GLY198D, GLY200D, GLY233A, GLY263A, GLY312D, GLY353D, HIS164D, HIS169D, HIS8A, HIS8D, ILE105A, ILE105D, ILE116A, ILE116D, ILE136A, ILE136D, ILE144A, ILE144D, ILE170D, ILE234A, ILE285A, ILE287A, ILE354D, ILE5A, ILE5D, LEU112A, LEU112D, LEU115A, LEU115D, LEU125A, LEU125D, LEU133A, LEU133D, LEU137A, LEU137D, LEU145A, LEU145D, LEU149A, LEU149D, LEU162D, LEU173D, LEU218A, LEU226A, LEU244A, LEU246A, LEU262A, LEU265A, LEU273A, LEU280A, LEU293A, LEU305A, LEU305D, LEU352D, LYS109A, LYS109D, LYS142A, LYS142D, LYS143A, LYS143D, LYS151D, MET123A, MET123D, MET159D, MET248A, MET249A, PHE167D, PHE174D, PHE270A, PRO158D, PRO199D, PRO240A, PRO284A, PRO355D, PRO4D, PRO6A, PRO6D, PRO7A, PRO7D, SER132A, SER132D, SER201D, SER271A, SER278A, SER281A, SER307A, SER307D, SER9A, SER9D, THR111A, THR111D, THR139A, THR139D, THR150D, THR152D, THR166D, THR196D, THR245A, THR266A, THR290A, THR294A, TRP110A, TRP110D, TYR127A, TYR127D, TYR235A, TYR286A, TYR41A, VAL147A, VAL147D, VAL163D, VAL230D, VAL232A, VAL260A, VAL274A, VAL276A, VAL306A, VAL306D, VAL311A, VAL311D
• B-C: ALA107B, ALA107C, ALA118B, ALA118C, ALA119B, ALA119C, ALA122B, ALA122C, ALA126B, ALA126C, ALA130B, ALA130C, ALA140B, ALA140C, ALA148B, ALA148C, ALA156B, ALA156C, ALA172B, ALA221C, ALA225C, ALA241C, ALA242C, ALA253C, ALA277C, ALA283C, ALA300C, ALA302C, ALA339B, ALA340B, ALA347B, ALA349B, ARG104B, ARG104C, ARG113B, ARG113C, ARG114B, ARG114C, ARG124B, ARG124C, ARG157B, ARG157C, ARG160B, ARG160C, ARG247C, ARG272C, ARG279C, ARG299C, ARG301C, ARG303C, ARG304C, ARG334C, ARG343B, ARG350B, ARG380B, ARG419B, ASN258C, ASN309C, ASN333B, ASN333C, ASP134B, ASP134C, ASP138B, ASP138C, ASP153C, ASP275C, ASP288C, ASP289C, ASP292C, ASP317C, ASP388B, ASP390B, CYS250C, GLN117B, GLN117C, GLN222C, GLN243C, GLN308C, GLN335B, GLN336B, GLN387B, GLU108B, GLU108C, GLU121B, GLU121C, GLU128B, GLU128C, GLU129B, GLU129C, GLU135B, GLU146B, GLU146C, GLU155C, GLU161B, GLU161C, GLU165B, GLU165C, GLU168B, GLU168C, GLU171B, GLU238C, GLU282C, GLU297C, GLU2B, GLU337B, GLU337C, GLU351B, GLU351C, GLU386B, GLY120B, GLY120C, GLY131B, GLY131C, GLY141B, GLY141C, GLY200B, GLY233C, GLY344B, GLY383B, GLY3B, HIS164B, HIS164C, HIS169B, HIS8B, HIS8C, ILE105B, ILE105C, ILE116B, ILE116C, ILE136B, ILE136C, ILE144B, ILE144C, ILE170B, ILE234C, ILE255C, ILE285C, ILE287C, ILE338B, ILE341B, ILE385B, ILE5B, ILE5C, LEU112B, LEU112C, LEU115B, LEU115C, LEU125B, LEU125C, LEU133B, LEU133C, LEU137B, LEU137C, LEU145B, LEU145C, LEU149B, LEU149C, LEU162B, LEU162C, LEU173B, LEU202B, LEU218C, LEU226C, LEU237C, LEU244C, LEU246C, LEU273C, LEU280C, LEU293C, LEU305C, LEU321C, LEU348B, LYS109B, LYS109C, LYS142B, LYS142C, LYS143B, LYS143C, LYS151C, LYS346B, MET123B, MET123C, MET159B, MET239C, MET248C, MET249C, MET257C, MET296C, PHE167B, PHE270C, PRO158B, PRO158C, PRO240C, PRO284C, PRO291C, PRO325B, PRO4B, PRO4C, PRO6B, PRO6C, PRO7B, PRO7C, SER132B, SER132C, SER201B, SER236C, SER271C, SER278C, SER281C, SER323C, SER342B, SER384B, SER9B, SER9C, THR111B, THR111C, THR139B, THR139C, THR150C, THR152C, THR154C, THR166B, THR245C, THR290C, THR294C, TRP110B, TRP110C, TYR127B, TYR127C, TYR235C, TYR286C, TYR318C, TYR41B, VAL147B, VAL147C, VAL163B, VAL163C, VAL232C, VAL274C, VAL276C, VAL311C
• B-D: ALA12B, ALA12D, ALA42B, ALA92B, ALA92D, ALA96B, ALA96D, ALA97B, ALA97D, ALA99D, GLN14B, GLN14D, GLU11B, GLU11D, GLU13D, GLU2B, GLY3B, HIS101B, HIS101D, HIS8B, HIS8D, ILE105B, ILE105D, ILE5B, ILE5D, LEU10B, LEU10D, LYS109B, LYS109D, PRO4B, PRO4D, PRO6B, PRO6D, PRO7B, PRO7D, PRO94B, PRO94D, SER15B, SER15D, SER9B, SER9D, THR93B, THR93D, THR95B, THR95D, TYR102B, TYR102D, TYR41B, TYR41D, TYR98B, TYR98D
• C-D: ALA126C, ALA130C, ARG104D, ARG124C, GLU108D, GLU128C, GLU129C, HIS101D, ILE105D, LYS109D, MET123C, TYR102D, TYR127C, TYR98D