2D4E

crystal structure of the hpcc from thermus thermophilus hb8

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 329
  • Norm. En. per Res.: -4.3785
• 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	-214.03	-160.7873	-1057.78	-1432.5973	330	34	28	42007	16	114	139
A-C	-96.7009	-21.1513	-324.703	-442.5552	119	27	6	12369	11	71	76
A-D	-12.999	-10.2613	-146.406	-169.6663	102	3	4	7261	4	58	42
B-C	-11.5824	0.0734	-142.884	-154.393	103	5	4	7234	2	57	43
B-D	-114.9509	-45.8375	-329.624	-490.4125	126	29	6	12855	11	72	75
C-D	-246.6768	-208.3538	-985.499	-1440.5296	329	37	28	39653	18	108	125

Interface residues

• A-B: ALA163A, ALA163B, ALA261A, ALA261B, ALA262A, ALA262B, ALA289A, ALA289B, ALA292A, ALA292B, ALA329A, ALA329B, ALA331A, ALA331B, ALA438A, ALA438B, ALA439A, ALA439B, ALA449A, ALA449B, ALA453A, ALA453B, ALA458A, ALA458B, ALA4A, ALA4B, ALA502A, ALA502B, ARG119A, ARG119B, ARG146A, ARG146B, ARG160A, ARG160B, ARG259A, ARG259B, ARG267A, ARG267B, ARG288A, ARG288B, ARG304A, ARG304B, ARG328A, ARG328B, ARG330A, ARG330B, ARG333A, ARG333B, ARG444A, ARG444B, ARG451A, ARG451B, ARG469A, ARG469B, ARG484A, ARG484B, ARG485A, ARG485B, ARG506A, ARG506B, ARG6A, ARG6B, ARG82A, ARG82B, ASN260A, ASN260B, ASN301A, ASN301B, ASN431A, ASN431B, ASN464A, ASN464B, ASN467A, ASN467B, ASP145A, ASP145B, ASP151A, ASP151B, ASP263A, ASP263B, ASP285A, ASP285B, ASP291A, ASP291B, ASP483A, ASP483B, ASP493A, ASP493B, ASP497A, ASP497B, ASP5A, ASP5B, GLN296A, GLN296B, GLN78B, GLU144B, GLU250A, GLU250B, GLU252A, GLU252B, GLU287A, GLU287B, GLU327A, GLU327B, GLU341B, GLU343A, GLU343B, GLU455A, GLU455B, GLU457A, GLU457B, GLU486A, GLU486B, GLY254A, GLY254B, GLY273A, GLY302A, GLY302B, GLY345A, GLY345B, GLY459A, GLY459B, GLY476A, GLY476B, GLY477A, GLY477B, GLY480A, GLY480B, GLY482A, GLY482B, GLY487A, GLY487B, GLY488A, GLY488B, GLY514A, GLY514B, HIS264A, HIS264B, HIS450A, HIS450B, HIS466A, HIS466B, HIS470A, HIS470B, HIS509A, HIS509B, ILE120A, ILE120B, ILE256A, ILE256B, ILE297A, ILE297B, ILE332A, ILE332B, ILE501A, ILE501B, LEU155A, LEU155B, LEU244A, LEU244B, LEU245A, LEU245B, LEU247A, LEU247B, LEU265A, LEU265B, LEU268A, LEU268B, LEU272A, LEU272B, LEU290A, LEU290B, LEU427A, LEU427B, LEU437A, LEU437B, LEU446A, LEU446B, LEU452A, LEU452B, LEU454A, LEU454B, LEU456A, LEU456B, LEU463A, LEU463B, LEU471A, LEU471B, LEU492A, LEU492B, LEU498A, LEU498B, LEU503A, LEU503B, LEU505A, LEU505B, LYS255A, LYS255B, LYS266A, LYS266B, LYS434A, LYS434B, LYS479A, LYS479B, LYS499A, LYS499B, LYS512A, LYS512B, LYS515A, LYS515B, MET143A, MET143B, MET258A, MET258B, MET460A, MET460B, PHE134A, PHE134B, PHE148A, PHE148B, PHE295A, PHE295B, PHE298A, PHE298B, PHE300A, PHE300B, PHE442A, PHE442B, PHE475A, PHE475B, PHE494A, PHE494B, PHE513A, PHE513B, PHE77A, PHE77B, PRO149A, PRO149B, PRO162A, PRO162B, PRO243A, PRO243B, PRO270A, PRO270B, PRO394A, PRO394B, PRO413A, PRO472A, PRO472B, PRO474A, PRO474B, PRO504A, PRO504B, PRO507A, PRO507B, PRO508A, PRO508B, PRO511A, PRO511B, SER269A, SER269B, SER299A, SER299B, SER465A, SER465B, SER481A, SER481B, SER81B, THR147A, THR147B, THR158A, THR158B, THR251A, THR251B, THR253A, THR253B, THR342A, THR342B, THR473A, THR473B, THR489A, THR489B, THR496A, THR496B, THR500A, THR500B, TRP154A, TRP154B, TYR138A, TYR138B, TYR156A, TYR156B, TYR157A, TYR157B, TYR3A, TYR3B, TYR440A, TYR462A, TYR462B, TYR490A, TYR490B, VAL117A, VAL117B, VAL150A, VAL150B, VAL159A, VAL159B, VAL161A, VAL161B, VAL237A, VAL257A, VAL257B, VAL293A, VAL293B, VAL294A, VAL294B, VAL325A, VAL325B, VAL344A, VAL344B, VAL441A, VAL441B, VAL461A, VAL461B, VAL468A, VAL468B, VAL478A, VAL478B, VAL510A, VAL510B
• A-C: ALA139A, ALA139C, ALA142A, ALA142C, ALA449A, ALA449C, ALA453A, ALA453C, ALA85A, ALA85C, ARG146A, ARG146C, ARG152A, ARG152C, ARG160A, ARG160C, ARG288A, ARG288C, ARG444A, ARG444C, ARG448A, ARG448C, ARG451A, ARG451C, ARG506A, ARG506C, ARG79C, ARG82A, ARG82C, ARG88A, ARG88C, ASN464A, ASN464C, ASP145A, ASP145C, ASP151A, ASP151C, ASP153A, ASP153C, ASP283A, ASP283C, ASP285A, ASP285C, ASP445A, ASP445C, GLN78A, GLN78C, GLU140A, GLU140C, GLU144A, GLU144C, GLU447A, GLU447C, GLU87A, GLU87C, GLY190A, HIS141A, HIS141C, HIS450A, HIS450C, ILE501A, ILE501C, LEU155A, LEU155C, LEU446A, LEU446C, LEU463A, LEU463C, LEU503A, LEU503C, LEU505A, LEU505C, LYS499A, LYS499C, LYS84A, LYS84C, LYS86A, LYS86C, MET143A, MET143C, PHE148A, PHE148C, PHE442A, PHE442C, PHE77A, PRO149A, PRO149C, PRO162A, PRO162C, SER465A, SER465C, SER81A, SER81C, THR147A, THR147C, THR158A, THR158C, THR443A, THR443C, THR489A, THR489C, THR500C, THR83A, THR83C, TRP154A, TRP154C, TRP80A, TYR156A, TYR156C, TYR157A, TYR157C, VAL150A, VAL150C, VAL159A, VAL159C, VAL161A, VAL161C, VAL441A, VAL441C
• A-D: ALA133A, ALA133D, ALA136A, ALA136D, ALA449A, ALA449D, ALA453A, ALA453D, ALA502A, ALA502D, ALA85A, ALA85D, ARG146A, ARG146D, ARG152A, ARG152D, ARG448A, ARG448D, ARG451A, ARG451D, ARG506A, ARG506D, ASN431A, ASP151A, ASP151D, ASP153A, ASP153D, GLU130A, GLU130D, GLU137A, GLU137D, GLU140A, GLU140D, GLU144A, GLU144D, GLU423A, GLU423D, GLU447A, GLU447D, GLU455A, GLU455D, GLU457A, GLY488A, GLY488D, HIS141A, HIS141D, HIS450A, HIS450D, HIS470A, HIS470D, ILE501A, ILE501D, LEU155A, LEU155D, LEU427A, LEU427D, LEU446A, LEU446D, LEU452A, LEU452D, LEU454A, LEU454D, LEU456A, LEU463D, LEU471A, LEU471D, LEU503A, LEU503D, LEU505A, LEU505D, LEU93A, LEU93D, LYS86A, LYS86D, LYS89A, LYS89D, MET143A, MET143D, PHE134A, PHE134D, PRO149A, PRO149D, PRO472A, PRO472D, PRO504A, PRO504D, PRO507A, PRO507D, PRO508A, PRO508D, THR473A, THR473D, THR489A, THR489D, TRP154A, TRP154D, TYR138A, TYR138D, TYR157A, TYR157D, VAL150A, VAL150D
• B-C: ALA126C, ALA133B, ALA133C, ALA136B, ALA136C, ALA449B, ALA449C, ALA453B, ALA453C, ALA502B, ALA502C, ALA85B, ALA85C, ARG152B, ARG152C, ARG448B, ARG448C, ARG451B, ARG451C, ARG506B, ARG506C, ASN431B, ASP151B, ASP151C, ASP153B, ASP153C, GLU130B, GLU130C, GLU137B, GLU137C, GLU140B, GLU140C, GLU144B, GLU144C, GLU423B, GLU423C, GLU447B, GLU447C, GLU455B, GLU455C, GLU457B, GLY488B, GLY488C, HIS141B, HIS141C, HIS450B, HIS450C, HIS470B, HIS470C, ILE501B, ILE501C, LEU155B, LEU155C, LEU427B, LEU427C, LEU446B, LEU446C, LEU452B, LEU452C, LEU454B, LEU454C, LEU456B, LEU463B, LEU471B, LEU471C, LEU503B, LEU503C, LEU505B, LEU505C, LEU93B, LEU93C, LYS86B, LYS86C, LYS89B, LYS89C, MET143B, MET143C, PHE134B, PHE134C, PRO149B, PRO149C, PRO472B, PRO472C, PRO504B, PRO504C, PRO507B, PRO507C, PRO508B, PRO508C, THR147B, THR473B, THR473C, THR489B, THR489C, TRP154B, TRP154C, TYR138B, TYR138C, TYR157B, TYR157C, TYR490C, VAL150B, VAL150C
• B-D: ALA139B, ALA139D, ALA142B, ALA142D, ALA449B, ALA449D, ALA453B, ALA453D, ALA85B, ALA85D, ARG146B, ARG146D, ARG152B, ARG152D, ARG160B, ARG160D, ARG288B, ARG288D, ARG444B, ARG444D, ARG448B, ARG448D, ARG451B, ARG451D, ARG506B, ARG506D, ARG79B, ARG79D, ARG82B, ARG82D, ARG88B, ARG88D, ASN464B, ASN464D, ASP145B, ASP145D, ASP151B, ASP151D, ASP153B, ASP153D, ASP283B, ASP283D, ASP285B, ASP285D, ASP445B, ASP445D, GLN78B, GLN78D, GLU140B, GLU140D, GLU144B, GLU144D, GLU447B, GLU447D, GLU87B, GLU87D, GLY190B, GLY190D, HIS141B, HIS141D, HIS450B, HIS450D, ILE501B, ILE501D, LEU155B, LEU155D, LEU446B, LEU446D, LEU463B, LEU463D, LEU498B, LEU503B, LEU503D, LEU505B, LEU505D, LYS499B, LYS499D, LYS84B, LYS84D, LYS86B, LYS86D, MET143B, MET143D, PHE148B, PHE148D, PHE189B, PHE442B, PHE442D, PHE77B, PHE77D, PRO149B, PRO149D, PRO162B, PRO162D, SER465B, SER465D, SER81B, SER81D, THR147B, THR147D, THR158B, THR158D, THR443B, THR443D, THR489B, THR489D, THR500B, THR83B, THR83D, TRP154B, TRP154D, TRP80B, TRP80D, TYR156B, TYR156D, TYR157B, TYR157D, TYR462D, VAL150B, VAL150D, VAL159B, VAL159D, VAL161B, VAL161D, VAL441B, VAL441D
• C-D: ALA163C, ALA163D, ALA261C, ALA261D, ALA262C, ALA262D, ALA289C, ALA289D, ALA292C, ALA292D, ALA329C, ALA329D, ALA331C, ALA331D, ALA438C, ALA438D, ALA439C, ALA439D, ALA449C, ALA449D, ALA453C, ALA453D, ALA458C, ALA458D, ALA502C, ALA502D, ARG119C, ARG119D, ARG127D, ARG146C, ARG146D, ARG160C, ARG160D, ARG259C, ARG259D, ARG267C, ARG267D, ARG288C, ARG288D, ARG304C, ARG304D, ARG328C, ARG328D, ARG330C, ARG330D, ARG333C, ARG333D, ARG444C, ARG444D, ARG451C, ARG451D, ARG469C, ARG469D, ARG484C, ARG484D, ARG485C, ARG485D, ARG506C, ARG506D, ARG82C, ARG82D, ASN260C, ASN260D, ASN301C, ASN301D, ASN431C, ASN431D, ASN464C, ASN464D, ASN467C, ASN467D, ASP145C, ASP145D, ASP151C, ASP151D, ASP153C, ASP153D, ASP263C, ASP263D, ASP285C, ASP285D, ASP291C, ASP291D, ASP483C, ASP483D, ASP493C, ASP493D, ASP497C, ASP497D, GLN296C, GLN296D, GLN78C, GLN78D, GLU144D, GLU250C, GLU250D, GLU252C, GLU252D, GLU287C, GLU287D, GLU327C, GLU327D, GLU343C, GLU343D, GLU455C, GLU455D, GLU457C, GLU457D, GLU486C, GLU486D, GLY254C, GLY254D, GLY273C, GLY273D, GLY302C, GLY302D, GLY345C, GLY345D, GLY459C, GLY459D, GLY476C, GLY476D, GLY477C, GLY477D, GLY480C, GLY480D, GLY482C, GLY482D, GLY487C, GLY487D, GLY488C, GLY488D, GLY514C, GLY514D, HIS264C, HIS264D, HIS450C, HIS450D, HIS466C, HIS466D, HIS470C, HIS470D, HIS509C, HIS509D, ILE120C, ILE120D, ILE256C, ILE256D, ILE297C, ILE297D, ILE332C, ILE332D, ILE501C, ILE501D, LEU155C, LEU155D, LEU244C, LEU244D, LEU245C, LEU245D, LEU247C, LEU247D, LEU265C, LEU265D, LEU268C, LEU268D, LEU272C, LEU272D, LEU290C, LEU290D, LEU427C, LEU427D, LEU437C, LEU437D, LEU446C, LEU446D, LEU452C, LEU452D, LEU454C, LEU454D, LEU456C, LEU456D, LEU463C, LEU463D, LEU471C, LEU471D, LEU492C, LEU492D, LEU498C, LEU498D, LEU503C, LEU503D, LEU505C, LEU505D, LYS255C, LYS255D, LYS266C, LYS266D, LYS434C, LYS434D, LYS479C, LYS479D, LYS499C, LYS499D, LYS512C, LYS512D, LYS515C, LYS515D, MET143C, MET143D, MET258C, MET258D, MET460C, MET460D, PHE134C, PHE134D, PHE148C, PHE148D, PHE295C, PHE295D, PHE298C, PHE298D, PHE300C, PHE300D, PHE442C, PHE442D, PHE475C, PHE475D, PHE494C, PHE494D, PHE513C, PHE513D, PHE77C, PHE77D, PRO149C, PRO149D, PRO162C, PRO162D, PRO243C, PRO243D, PRO270C, PRO270D, PRO394C, PRO394D, PRO413C, PRO413D, PRO472C, PRO472D, PRO474C, PRO474D, PRO504C, PRO504D, PRO507C, PRO507D, PRO508C, PRO508D, PRO511C, PRO511D, SER269C, SER269D, SER299C, SER299D, SER465C, SER465D, SER481C, SER481D, THR147C, THR147D, THR158C, THR158D, THR251C, THR251D, THR253C, THR253D, THR342C, THR342D, THR473C, THR473D, THR489C, THR489D, THR496C, THR496D, THR500C, THR500D, TRP154C, TRP154D, TYR138C, TYR138D, TYR156C, TYR156D, TYR157C, TYR157D, TYR435C, TYR435D, TYR440D, TYR462C, TYR462D, TYR490C, TYR490D, VAL117C, VAL117D, VAL150C, VAL150D, VAL159C, VAL159D, VAL161C, VAL161D, VAL237C, VAL237D, VAL257C, VAL257D, VAL293C, VAL293D, VAL294C, VAL294D, VAL325C, VAL334C, VAL344C, VAL344D, VAL441C, VAL441D, VAL461C, VAL461D, VAL468C, VAL468D, VAL478C, VAL478D, VAL510C, VAL510D