3QED

the structure and function of an arabinan-specific alpha-1,2- arabinofuranosidase identified from screening the activities of bacterial gh43 glycoside hydrolases

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 45
  • Norm. En. per Res.: -3.5864
• Hub Node: A(2)

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	-41.5639	0.0	-199.241	-240.8049	93	19	3	8174	4	21	15
A-D	-14.1978	-26.82	-108.854	-149.8718	71	2	1	5412	1	26	32
B-C	-20.2086	-31.7817	-115.041	-167.0313	73	5	1	5544	2	22	33
B-D	-72.0638	0.0	-89.326	-161.3898	45	9	2	2880	0	0	2
C-D	-50.0267	-41.3706	-191.356	-282.7533	91	24	3	7976	4	21	14

Interface residues

• A-B: ALA260A, ALA260B, ALA285A, ALA285B, ARG287A, ARG287B, ARG294A, ARG294B, ARG312A, ARG312B, ASN257A, ASN257B, ASN262A, ASN262B, ASN266A, ASN266B, ASN31A, ASN31B, ASN63A, ASN63B, ASP289A, ASP289B, ASP300B, ASP62A, ASP62B, GLN292A, GLN292B, GLU212A, GLU212B, GLU236A, GLU236B, GLU258A, GLU258B, GLU30A, GLU30B, GLU318A, GLU318B, GLY233A, GLY233B, GLY261A, GLY261B, GLY284A, GLY284B, GLY286A, GLY286B, GLY290A, GLY290B, GLY291A, GLY291B, GLY319A, GLY319B, ILE255A, ILE255B, ILE313A, ILE313B, LYS237A, LYS237B, PHE234A, PHE234B, PHE38A, PHE38B, PHE66B, PRO235A, PRO235B, PRO264A, PRO264B, PRO288A, PRO288B, PRO32A, PRO32B, SER296A, THR214B, THR263A, THR263B, THR265A, THR265B, THR283A, THR283B, THR316A, THR316B, THR317A, THR317B, THR64A, THR64B, THR65A, THR65B, TYR281B, TYR293A, TYR293B, VAL259A, VAL259B, VAL314A, VAL314B
• A-D: ALA206A, ALA21D, ALA23D, ALA60D, ALA85D, ARG187A, ARG189A, ARG205A, ARG287D, ARG294D, ARG57D, ARG91D, ASN70D, ASP159A, ASP26D, ASP289D, ASP36D, ASP58D, ASP62D, GLN28D, GLU208A, GLU212A, GLU59D, GLU71D, GLU84D, GLY202A, GLY209A, GLY233A, GLY239A, GLY248A, GLY254A, GLY87D, GLY89D, HIS86D, ILE162A, ILE204A, ILE207A, ILE24D, ILE255A, LEU210A, LEU73D, LYS237A, LYS247A, PHE213A, PHE34D, PHE38D, PRO161A, PRO188A, PRO203A, PRO211A, PRO249A, PRO27D, PRO288D, PRO61D, PRO88D, SER25D, THR157A, THR158A, THR160A, THR186A, THR35D, THR39D, TRP250A, TYR190A, TYR230A, TYR252A, TYR75D, VAL251A, VAL37D, VAL68D, VAL74D
• B-C: ALA206C, ALA21B, ALA23B, ALA60B, ALA85B, ARG187C, ARG189C, ARG205C, ARG287B, ARG294B, ARG57B, ARG91B, ASN63B, ASN70B, ASP159C, ASP26B, ASP289B, ASP36B, ASP58B, ASP62B, GLN28B, GLU208C, GLU212C, GLU59B, GLU71B, GLU84B, GLY202C, GLY209C, GLY233C, GLY239C, GLY248C, GLY254C, GLY87B, GLY89B, HIS86B, ILE162C, ILE204C, ILE207C, ILE24B, ILE255C, LEU210C, LEU73B, LYS237C, LYS247C, PHE213C, PHE34B, PHE38B, PRO161C, PRO188C, PRO203C, PRO211C, PRO249C, PRO27B, PRO288B, PRO61B, PRO88B, SER25B, THR157C, THR158C, THR160C, THR186C, THR35B, THR39B, TRP250C, TRP83B, TYR190C, TYR230C, TYR252C, TYR75B, VAL251C, VAL37B, VAL68B, VAL74B
• B-D: ALA21B, ALA21D, ALA23B, ALA23D, ALA285B, ALA285D, ALA29B, ALA29D, ARG287B, ARG287D, ASN31B, ASN31D, ASP26B, ASP26D, ASP36D, GLN28B, GLN28D, GLU30B, GLU30D, GLU318B, GLU318D, GLY286B, GLY286D, ILE24B, ILE24D, ILE33B, ILE33D, PHE34B, PHE34D, PRO27B, PRO27D, PRO32B, PRO32D, SER25B, SER25D, SER296B, SER296D, SER298B, SER298D, THR317B, THR317D, THR35B, THR35D, VAL297B, VAL297D
• C-D: ALA260C, ALA260D, ALA285C, ALA285D, ARG287C, ARG287D, ARG294C, ARG312C, ARG312D, ASN257C, ASN257D, ASN262C, ASN262D, ASN266C, ASN266D, ASN31C, ASN31D, ASN63C, ASN63D, ASP289C, ASP289D, ASP62D, GLN292C, GLN292D, GLU212C, GLU212D, GLU236C, GLU236D, GLU258C, GLU258D, GLU30C, GLU30D, GLU318C, GLU318D, GLY233C, GLY233D, GLY261C, GLY261D, GLY284C, GLY284D, GLY286C, GLY286D, GLY290C, GLY290D, GLY291C, GLY291D, GLY319C, GLY319D, ILE238C, ILE255C, ILE255D, ILE313C, ILE313D, LYS237C, LYS237D, PHE234C, PHE234D, PHE38C, PHE38D, PHE66C, PHE66D, PRO235C, PRO235D, PRO264C, PRO264D, PRO288C, PRO288D, PRO32C, PRO32D, THR263C, THR263D, THR265C, THR265D, THR283C, THR283D, THR316C, THR316D, THR317C, THR317D, THR64C, THR64D, THR65C, THR65D, TYR252C, TYR281D, TYR293C, TYR293D, VAL259C, VAL259D, VAL314C, VAL314D