3PAY

crystal structure of a putative adhesin (bacova_04077) from bacteroides ovatus at 2.50 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 93
  • Norm. En. per Res.: -2.7815
• 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	-16.6994	3.9319	-245.916	-258.6834	93	8	4	8743	0	11	19
A-C	-63.4439	35.8484	-196.878	-224.4735	97	10	2	7542	0	30	31
A-D	0.0	1.0035	-19.0411	-18.0376	28	0	0	694	0	6	5
B-C	0.0	0.0	-17.1282	-17.1282	29	1	0	706	0	7	5
B-D	-63.9281	40.873	-211.658	-234.7131	99	11	3	7800	0	30	31
C-D	-17.7277	17.1801	-262.565	-263.1126	96	6	4	9124	0	10	20

Interface residues

• A-B: ALA276A, ALA276B, ALA46A, ALA46B, ARG277A, ARG277B, ARG281A, ARG281B, ASN177A, ASN177B, ASN186A, ASN186B, ASN300A, ASN300B, ASP283A, ASP283B, GLN296A, GLN296B, GLN315A, GLN315B, GLU184A, GLU184B, GLU298A, GLU298B, GLU331A, GLU331B, GLU44A, GLU44B, GLY284A, GLY284B, GLY321A, GLY321B, GLY329A, GLY329B, HIS325A, HIS325B, HIS328A, HIS328B, ILE275A, ILE275B, ILE316A, ILE316B, ILE318A, ILE318B, ILE324A, ILE324B, LEU272A, LEU272B, LEU273A, LEU273B, LEU287A, LEU287B, LEU301A, LEU301B, LEU314A, LEU314B, LEU327A, LEU327B, PRO278A, PRO278B, SER274A, SER274B, SER280A, SER280B, THR285A, THR285B, THR304A, THR304B, THR322A, THR322B, TRP299A, TRP299B, TRP323A, TRP323B, TRP326A, TRP326B, TYR183A, TYR183B, TYR282A, TYR282B, TYR292A, TYR292B, TYR45A, TYR45B, VAL279A, VAL279B, VAL305A, VAL305B, VAL306A, VAL306B, VAL319A, VAL320A, VAL320B
• A-C: ARG246A, ARG246C, ARG277A, ARG277C, ARG281A, ARG281C, ASN159A, ASN159C, ASN161A, ASN161C, ASN245A, ASN245C, ASP154A, ASP154C, ASP22C, ASP283A, ASP283C, ASP62A, ASP62C, ASP64A, ASP64C, ASP65A, ASP65C, ASP91A, ASP91C, CYS21A, CYS21C, GLN290A, GLN290C, GLU152A, GLU152C, GLU286A, GLU286C, GLU291A, GLU291C, GLY0A, GLY284A, GLY284C, GLY93A, GLY93C, HIS155A, HIS155C, HIS162A, HIS162C, LEU156A, LEU156C, LEU244A, LEU244C, LEU287A, LEU287C, LEU28A, LEU28C, LEU68A, LEU68C, LEU90A, LEU90C, LYS163A, LYS163C, LYS96A, LYS96C, PHE289A, PHE289C, PHE92A, PHE92C, PRO157A, PRO157C, PRO166A, PRO166C, PRO288A, PRO288C, SER158A, SER158C, SER20A, SER20C, SER247A, SER247C, SER280A, SER63A, SER63C, SER94A, SER94C, THR160A, THR160C, THR285A, THR285C, TYR165A, TYR165C, TYR282A, TYR282C, TYR292A, TYR292C, TYR95A, TYR95C, VAL153A, VAL153C, VAL279A, VAL279C
• A-D: ARG246A, ARG246D, ASN245A, ASN245D, ASN268A, ASN268D, ASP250A, ASP250D, GLN315D, GLU331A, GLU331D, GLY248A, GLY248D, GLY329A, GLY329D, HIS328A, HIS328D, LEU314D, LEU327A, LEU327D, SER247A, SER247D, SER274A, SER274D, THR271A, THR271D, TRP249A, TRP249D
• B-C: ARG246B, ARG246C, ASN245B, ASN245C, ASN268B, ASN268C, ASP250B, ASP250C, GLU331B, GLU331C, GLY248B, GLY248C, GLY329B, GLY329C, HIS328B, HIS328C, LEU327B, LEU327C, PHE289B, PHE289C, SER247B, SER247C, SER274B, SER274C, THR271B, THR271C, TRP249B, TRP249C, TYR267B
• B-D: ARG246B, ARG246D, ARG277B, ARG277D, ARG281B, ARG281D, ASN159B, ASN159D, ASN161B, ASN161D, ASN245B, ASN245D, ASP154B, ASP154D, ASP283B, ASP283D, ASP62B, ASP62D, ASP64B, ASP64D, ASP65B, ASP65D, ASP91B, ASP91D, CYS21B, CYS21D, CYS31B, GLN290B, GLN290D, GLU152B, GLU152D, GLU286B, GLU286D, GLU291B, GLU291D, GLY0B, GLY0D, GLY284B, GLY284D, GLY93B, GLY93D, HIS155B, HIS155D, HIS162B, HIS162D, ILE164B, LEU156B, LEU156D, LEU244B, LEU244D, LEU287B, LEU287D, LEU28B, LEU28D, LEU68B, LEU68D, LEU90B, LEU90D, LYS163B, LYS163D, LYS96B, LYS96D, PHE289B, PHE289D, PHE92B, PHE92D, PRO157B, PRO157D, PRO166B, PRO166D, PRO288B, PRO288D, SER158B, SER158D, SER20B, SER20D, SER247B, SER247D, SER280D, SER63B, SER63D, SER94B, SER94D, THR160B, THR160D, THR285B, THR285D, TYR165B, TYR165D, TYR282B, TYR282D, TYR292B, TYR292D, TYR95B, TYR95D, VAL153B, VAL153D, VAL279B, VAL279D
• C-D: ALA276C, ALA276D, ALA46C, ALA46D, ARG277C, ARG277D, ARG281C, ARG281D, ASN177C, ASN186D, ASN300C, ASN300D, ASN42D, ASP283C, ASP283D, GLN296C, GLN296D, GLN315C, GLN315D, GLU184C, GLU184D, GLU298C, GLU298D, GLU307C, GLU331C, GLU331D, GLU44C, GLU44D, GLY284C, GLY284D, GLY321C, GLY321D, GLY329C, GLY329D, HIS325C, HIS325D, HIS328C, HIS328D, ILE275C, ILE275D, ILE316C, ILE316D, ILE318C, ILE318D, ILE324C, ILE324D, LEU272C, LEU272D, LEU273C, LEU273D, LEU287C, LEU287D, LEU301C, LEU301D, LEU314C, LEU314D, LEU327C, LEU327D, PRO278C, PRO278D, SER274C, SER274D, SER280C, SER280D, THR285C, THR285D, THR304C, THR304D, THR322C, THR322D, TRP299C, TRP299D, TRP323C, TRP323D, TRP326C, TRP326D, TYR183C, TYR183D, TYR267C, TYR267D, TYR282C, TYR282D, TYR292C, TYR292D, TYR45C, TYR45D, VAL279C, VAL279D, VAL302C, VAL305D, VAL306C, VAL306D, VAL319C, VAL319D, VAL320C, VAL320D