3DL8

structure of the complex of aquifex aeolicus secyeg and bacillus subtilis seca

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 27
  • Norm. En. per Res.: -0.861
• 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	0.0	0.0	-15.6129	-15.6129	55	12	0	1211	0	0	0
A-G	-23.8646	0.0	-40.5314	-64.396	159	8	0	3929	0	0	0
A-E	0.0	0.0	-6.6836	-6.6836	22	0	0	397	0	0	0
B-H	-5.2428	0.0	-64.3709	-69.6137	168	8	0	3577	0	0	0
B-F	-6.7389	0.0	-16.5075	-23.2464	27	6	0	626	0	0	0
G-C	0.0	0.0	-8.8166	-8.8166	48	0	0	785	0	0	0
G-E	0.0	0.0	-9.601	-9.601	75	0	0	1204	0	0	0
H-D	0.0	0.0	-6.878	-6.878	51	0	0	734	0	0	0
H-F	0.0	0.0	-12.3999	-12.3999	67	0	0	1271	0	0	0
C-E	0.0	0.0	-0.7478	-0.7478	8	0	0	67	0	0	0

Interface residues

• A-B: ALA719A, ALA719B, ALA778A, ALA778B, ARG709A, ARG709B, ARG718A, ARG718B, ASN697A, ASN697B, GLN707A, GLN707B, GLU194A, GLU194B, GLU700A, GLU700B, GLU701A, GLU701B, GLU706A, GLU706B, GLU710A, GLU710B, GLU712B, GLY704A, GLY704B, ILE715A, ILE715B, LEU191A, LEU717B, LYS705A, LYS705B, LYS713A, LYS713B, LYS773A, LYS777A, LYS777B, MET189A, MET708A, MET708B, MET776A, MET776B, PHE703A, PHE703B, PHE711A, PHE711B, PHE774A, PHE774B, TYR696A, TYR696B, VAL714A, VAL714B, VAL716A, VAL716B, VAL775A, VAL775B
• A-G: ALA217A, ALA238G, ALA257G, ALA258A, ALA270G, ALA299A, ALA328G, ALA337G, ALA343G, ALA730A, ALA742A, ALA744A, ALA758A, ARG109G, ARG218A, ARG240G, ARG241G, ARG249G, ARG253G, ARG259G, ARG328A, ARG351G, ARG428G, ARG584A, ARG593A, ARG735A, ARG741A, ARG750A, ASN268G, ASN277A, ASN291A, ASN339G, ASN588A, ASN589A, ASN629A, ASP106G, ASP280A, ASP591A, ASP726A, ASP729A, ASP732A, GLN236G, GLN245G, GLN250G, GLN254G, GLN260A, GLN292A, GLN595A, GLN606A, GLN733A, GLN736A, GLN745A, GLN753A, GLU103G, GLU104G, GLU216A, GLU239G, GLU331A, GLU335G, GLU338G, GLU348A, GLU415G, GLU514A, GLU586A, GLU625A, GLU751A, GLU755A, GLU761A, GLY105G, GLY108G, GLY248G, GLY252G, GLY258G, GLY271G, GLY332A, GLY349G, GLY353G, GLY587A, GLY737A, HIS283A, HIS288A, HIS334A, HIS727A, HIS739A, HIS762A, ILE214A, ILE242G, ILE244G, ILE265G, ILE267G, ILE626A, ILE728A, ILE738A, LEU255G, LEU261A, LEU263G, LEU278A, LEU333A, LEU340G, LEU596A, LEU734A, LEU740A, LYS102G, LYS257A, LYS260G, LYS266G, LYS282A, LYS342G, LYS421G, LYS424G, LYS594A, LYS723A, MET300A, MET630A, MET725A, MET731A, MET754A, MET759A, MET763A, PHE279A, PHE319A, PHE590A, PRO243G, PRO247G, PRO264G, PRO269G, PRO348G, PRO352G, SER318A, SER330A, SER349A, SER592A, SER633A, SER722A, THR256A, THR261G, THR262A, THR320A, THR327G, THR416G, TRP724A, TYR107G, TYR234G, TYR246G, TYR256G, TYR262G, TYR329A, TYR423G, TYR743A, VAL251G, VAL259A, VAL281A, VAL284A, VAL304A, VAL329G, VAL350G, VAL585A, VAL609A, VAL627A
• A-E: ARG382A, ARG750A, ASN383A, ASN386A, ASN6A, ASN747A, GLN39E, GLN598A, GLY43E, GLY45E, GLY46E, ILE384A, ILE41E, LEU51E, LEU749A, LYS7A, PHE42E, PRO748A, SER40E, THR52E, THR746A, VAL44E
• B-H: ALA217B, ALA257H, ALA258B, ALA270H, ALA285B, ALA296B, ALA299B, ALA328H, ALA337H, ALA343H, ALA730B, ALA744B, ARG109H, ARG218B, ARG240H, ARG241H, ARG249H, ARG253H, ARG259H, ARG328B, ARG351H, ARG412H, ARG428H, ARG553B, ARG584B, ARG593B, ARG735B, ARG741B, ARG750B, ARG99H, ASN268H, ASN277B, ASN287B, ASN291B, ASN339H, ASN588B, ASN589B, ASN629B, ASP106H, ASP280B, ASP591B, ASP726B, ASP729B, ASP732B, GLN245H, GLN250H, GLN254H, GLN260B, GLN292B, GLN301B, GLN354H, GLN420H, GLN595B, GLN733B, GLN736B, GLN745B, GLN753B, GLU103H, GLU104H, GLU216B, GLU331B, GLU335H, GLU338H, GLU348B, GLU415H, GLU586B, GLU751B, GLU755B, GLU761B, GLY105H, GLY108H, GLY248H, GLY252H, GLY258H, GLY271H, GLY332B, GLY344H, GLY349H, GLY353H, GLY550B, GLY587B, GLY737B, HIS283B, HIS288B, HIS334B, HIS341H, HIS727B, HIS739B, HIS762B, ILE214B, ILE242H, ILE244H, ILE265H, ILE267H, ILE419H, ILE626B, ILE631B, ILE728B, ILE764B, LEU255H, LEU261B, LEU263H, LEU278B, LEU333B, LEU340H, LEU418H, LEU734B, LEU740B, LEU749B, LYS102H, LYS257B, LYS260H, LYS266H, LYS282B, LYS342H, LYS421H, LYS422H, LYS594B, LYS632B, LYS723B, MET300B, MET630B, MET725B, MET731B, MET754B, MET759B, MET763B, PHE279B, PHE319B, PHE590B, PHE757B, PHE760B, PRO243H, PRO247H, PRO264H, PRO269H, PRO348H, PRO352H, SER318B, SER330B, SER592B, SER633B, SER634B, THR256B, THR261H, THR262B, THR320B, THR327H, THR416H, THR746B, TYR107H, TYR110H, TYR234H, TYR246H, TYR256H, TYR329B, TYR423H, TYR743B, VAL251H, VAL259B, VAL272H, VAL281B, VAL284B, VAL304B, VAL334H, VAL350H, VAL427H, VAL585B
• B-F: ALA54F, ALA742B, ARG382B, ARG750B, ASN383B, ASN6B, ASN747B, ASP601B, GLN39F, GLN598B, GLN745B, GLY43F, GLY45F, GLY46F, ILE384B, ILE41F, LEU51F, LEU749B, LYS594B, LYS7B, PHE42F, PRO748B, SER40F, THR52F, THR746B, VAL44F, VAL47F
• G-C: ALA191G, ALA195G, ALA407G, ARG29G, ASN196G, ASN199G, ASP48C, GLY192G, GLY31G, GLY41C, HIS33G, ILE188G, ILE222G, ILE225G, ILE226G, ILE229G, ILE27G, ILE31C, ILE34C, ILE34G, ILE40C, ILE54C, ILE55C, ILE58C, LEU22G, LEU30G, LEU408G, LEU44C, LEU47C, LEU59C, LYS53C, PHE190G, PHE25G, PHE51C, SER32G, SER37C, SER56C, THR21G, THR30C, THR50C, THR52C, TRP45C, TYR28G, TYR43C, VAL194G, VAL26G, VAL33C, VAL404G
• G-E: ALA164G, ALA31E, ALA32E, ALA60E, ALA66E, ALA83G, ARG109G, ARG26E, ASN113G, ASN183G, ASP106G, ASP174G, ASP28E, GLN39E, GLU114G, GLY151G, GLY165G, GLY182G, GLY25E, GLY30E, GLY31G, GLY34E, GLY35E, GLY36E, GLY38E, GLY59E, HIS33G, ILE11E, ILE152G, ILE157G, ILE17E, ILE181G, ILE18E, ILE27G, ILE34G, ILE36G, ILE41E, LEU121G, LEU160G, LEU21E, LEU22E, LEU30G, LEU63E, LEU67E, LEU68E, LEU69E, LYS111G, LYS117G, LYS24E, MET167G, MET37E, PHE168G, PHE33E, PRO35G, SER40E, SER70E, SER84G, THR116G, THR161G, THR166G, THR177G, THR20E, TRP171G, TYR110G, TYR115G, TYR118G, TYR56E, TYR80G, VAL14E, VAL159G, VAL163G, VAL170G, VAL29E, VAL64E, VAL71E
• H-D: ALA191H, ALA195H, ALA407H, ARG29H, ASN196H, ASN199H, ASP48D, GLY192H, GLY31H, GLY41D, HIS33H, ILE188H, ILE222H, ILE225H, ILE226H, ILE229H, ILE31D, ILE34D, ILE40D, ILE54D, ILE55D, ILE58D, LEU22H, LEU30H, LEU38D, LEU408H, LEU44D, LEU47D, LEU49D, LEU59D, MET24H, PHE190H, PHE25H, PHE51D, PHE57D, PRO198H, SER32H, SER37D, SER56D, THR21H, THR30D, THR50D, THR52D, TRP45D, TYR28H, TYR43D, VAL194H, VAL230H, VAL26H, VAL33D, VAL404H
• H-F: ALA164H, ALA31F, ALA32F, ALA60F, ALA66F, ALA83H, ARG109H, ARG26F, ASN113H, ASN183H, ASP106H, ASP174H, ASP28F, GLN39F, GLU114H, GLY165H, GLY182H, GLY184H, GLY25F, GLY30F, GLY34F, GLY35F, GLY36F, GLY38F, GLY59F, ILE152H, ILE157H, ILE17F, ILE181H, ILE18F, ILE34H, ILE41F, LEU119H, LEU121H, LEU160H, LEU21F, LEU22F, LEU30H, LEU63F, LEU67F, LYS111H, LYS117H, LYS24F, MET167H, MET37F, PHE168H, PHE33F, PRO35H, SER40F, SER70F, SER84H, THR116H, THR166H, THR177H, THR20F, TRP171H, TYR110H, TYR115H, TYR118H, TYR56F, TYR80H, VAL14F, VAL159H, VAL163H, VAL170H, VAL29F, VAL64F
• C-E: ARG62C, ILE58C, ILE72E, LEU59C, LEU67E, LEU68E, VAL64E, VAL71E