3HB0

structure of edeya2 complexed with bef3

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 81
  • Norm. En. per Res.: -3.5275
• 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	-17.6364	-4.3288	-154.324	-176.2891	89	6	6	7323	4	30	24
A-D	-57.2814	-10.9515	-211.195	-279.4278	81	21	9	8729	1	23	34
B-C	-68.2986	-7.8511	-209.578	-285.7277	81	17	9	8706	1	23	36
C-D	-31.5485	-4.4777	-155.056	-191.0822	88	6	6	7051	8	31	25

Interface residues

• A-B: ALA291A, ALA415B, ALA419B, ALA431B, ARG293A, ARG303A, ARG303B, ARG407B, ARG414B, ARG438B, ARG519A, ARG530B, ASN433B, ASN436B, ASN440B, ASP297A, ASP422B, ASP502A, GLN412B, GLN508A, GLU277A, GLU309A, GLU310A, GLU408B, GLU416B, GLU418B, GLU505A, GLU506A, GLU507A, GLU527B, GLU534B, GLU536B, GLY288A, GLY295A, GLY305A, GLY462B, GLY501A, GLY503A, GLY509A, HIS283A, HIS427B, HIS531B, ILE304A, ILE304B, ILE435B, ILE520A, LEU285A, LEU286A, LEU306A, LEU411B, LEU413B, LEU417B, LEU420B, LEU423B, LEU425B, LEU429B, LEU432B, LEU434B, LEU533B, LEU535B, LYS296A, LYS296B, LYS430B, LYS511A, LYS512A, PHE282A, PHE290A, PHE313A, PHE517A, PRO439B, SER284A, SER292A, SER301A, SER437B, SER521A, THR287A, THR289A, THR298A, THR299A, THR300A, THR404B, THR409B, THR421B, THR426B, TRP410B, TRP424B, TYR294A, VAL302A, VAL504A
• A-D: ALA495A, ALA495D, ALA510D, ALA524D, ALA528A, ALA528D, ALA532A, ALA532D, ARG269A, ARG269D, ARG438A, ARG438D, ARG493A, ARG493D, ARG519A, ARG519D, ARG530A, ARG530D, ASN440A, ASN514A, ASN514D, ASP525A, ASP525D, CYS441A, CYS522D, GLU268A, GLU507D, GLU527A, GLU527D, GLU534A, GLU534D, GLU536A, GLU536D, GLY501D, HIS266A, HIS513D, HIS523D, HIS531A, HIS531D, ILE435A, ILE500A, ILE500D, ILE520D, LEU526D, LEU529A, LEU529D, LEU533A, LEU533D, LEU535A, LEU535D, LEU538A, LEU538D, LYS494A, LYS494D, LYS511D, LYS512D, MET267A, MET488D, MET515A, MET515D, PHE271A, PHE271D, PHE517A, PHE517D, PRO516A, PRO516D, SER265A, SER521D, TRP518A, TRP518D, TYR497A, TYR497D, TYR537A, TYR537D, VAL270A, VAL496A, VAL496D, VAL498A, VAL498D, VAL499A, VAL499D
• B-C: ALA495C, ALA510B, ALA524B, ALA528B, ALA528C, ALA532B, ALA532C, ARG269B, ARG269C, ARG438B, ARG438C, ARG493B, ARG519B, ARG519C, ARG530B, ARG530C, ASN440C, ASN514B, ASN514C, ASP525B, ASP525C, CYS441C, CYS522B, GLU268C, GLU507B, GLU507C, GLU527B, GLU527C, GLU534B, GLU534C, GLU536B, GLU536C, GLY501B, HIS266C, HIS513B, HIS523B, HIS531B, HIS531C, ILE435C, ILE500B, ILE500C, ILE520B, ILE520C, LEU526B, LEU529B, LEU529C, LEU533B, LEU533C, LEU535B, LEU535C, LEU538B, LEU538C, LYS494B, LYS494C, LYS511B, LYS511C, MET267C, MET488B, MET515B, MET515C, PHE271B, PHE271C, PHE517B, PHE517C, PRO516B, PRO516C, SER265C, SER521B, TRP518B, TRP518C, TYR497B, TYR497C, TYR537B, TYR537C, VAL270C, VAL496B, VAL496C, VAL498B, VAL498C, VAL499B, VAL499C
• C-D: ALA291C, ALA415D, ALA419D, ALA431D, ARG293C, ARG303C, ARG303D, ARG407D, ARG414D, ARG438D, ARG519C, ARG530D, ASN397D, ASN433D, ASN436D, ASN440D, ASP297C, ASP422D, ASP502C, GLN412D, GLN508C, GLU277C, GLU309C, GLU310C, GLU408D, GLU416D, GLU418D, GLU481C, GLU505C, GLU506C, GLU507C, GLU534D, GLU536D, GLY288C, GLY295C, GLY305C, GLY462D, GLY501C, GLY503C, GLY509C, HIS283C, HIS427D, HIS523D, ILE304C, ILE304D, ILE435D, ILE520C, LEU285C, LEU286C, LEU306C, LEU411D, LEU413D, LEU417D, LEU420D, LEU423D, LEU425D, LEU429D, LEU432D, LEU434D, LEU535D, LYS296C, LYS430D, LYS511C, LYS512C, PHE282C, PHE290C, PHE313C, PHE517C, PRO439D, SER284C, SER292C, SER301C, SER437D, SER521C, THR287C, THR289C, THR298C, THR299C, THR300C, THR404D, THR409D, THR421D, THR426D, TRP410D, TRP424D, TYR294C, VAL302C, VAL504C