3N1G

crystal structure of dhhn bound to bocfn3

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 69
  • Norm. En. per Res.: -6.091
• Hub Node: B(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
B-C	-87.8768	-149.0234	-181.841	-418.7412	71	12	0	6627	10	54	47
B-A	-14.8557	-1.2371	-63.0346	-79.1275	39	4	0	2897	2	22	14
B-D	0.0	17.8833	-30.1855	-12.3022	34	1	0	1382	0	14	14
A-D	-77.7776	-159.5147	-182.988	-420.2803	69	12	0	6592	10	53	45

Interface residues

• B-C: ALA811C, ARG124B, ARG154B, ARG156B, ARG179B, ARG66B, ARG753C, ARG812C, ASN180B, ASN759C, ASN803C, ASN92B, ASP130B, ASP132B, ASP148B, ASP153B, ASP155B, ASP722C, ASP756C, ASP758C, ASP760C, ASP787C, ASP89B, ASP96B, CYS807C, GLU127B, GLU131B, GLU177B, GLU783C, GLU808C, GLU90B, GLU91B, GLY128B, GLY133B, HIS134B, HIS135B, HIS181B, ILE718C, ILE788C, ILE806C, ILE86B, LYS46B, LYS789C, LYS88B, MET805C, PHE720C, PHE801C, PHE87B, PRO754C, PRO782C, SER152B, SER178B, SER757C, SER785C, SER802C, SER93B, THR126B, THR150B, THR719C, THR721C, THR755C, THR784C, THR809C, TYR142B, TYR159B, TYR45B, TYR717C, TYR763C, TYR786C, VAL125B, VAL804C
• B-A: ALA109B, ALA111B, ARG102B, ARG106B, ARG122A, ARG122B, ARG124A, ARG154A, ARG156A, ARG97B, ASN108B, ASN116B, ASN157A, ASN180A, ASN80B, ASN82B, ASP153A, ASP155A, ASP84B, GLU101B, GLU105B, GLY120A, ILE112B, ILE85B, ILE86A, LYS104B, LYS158A, MET115B, PRO119A, PRO79B, PRO83B, SER152A, THR151A, TRP118A, TYR159A, TYR81B, VAL107B, VAL121A, VAL78B
• B-D: ARG122B, ARG69B, ARG753D, ARG75B, ARG812D, ARG97B, ASN759D, ASN80B, ASN82B, ASN92B, ASP756D, ASP758D, ASP762D, ASP89B, GLN781D, GLU72B, GLY70B, GLY94B, ILE86B, LEU98B, LYS764D, LYS813D, PHE74B, PRO754D, PRO782D, PRO79B, PRO83B, SER757D, SER93B, THR755D, THR784D, TYR786D, TYR81B, VAL78B
• A-D: ALA811D, ARG124A, ARG154A, ARG156A, ARG179A, ARG66A, ARG753D, ARG812D, ASN180A, ASN759D, ASN803D, ASN92A, ASP130A, ASP132A, ASP148A, ASP153A, ASP756D, ASP758D, ASP760D, ASP787D, ASP89A, ASP96A, CYS807D, GLU127A, GLU131A, GLU177A, GLU783D, GLU808D, GLU90A, GLU91A, GLY128A, GLY133A, HIS134A, HIS135A, HIS181A, ILE718D, ILE788D, ILE806D, ILE86A, LYS46A, LYS789D, LYS88A, MET805D, PHE720D, PHE801D, PHE87A, PRO754D, PRO782D, SER152A, SER178A, SER757D, SER785D, SER802D, SER93A, THR126A, THR150A, THR719D, THR721D, THR755D, THR784D, THR809D, TYR142A, TYR159A, TYR45A, TYR717D, TYR763D, TYR786D, VAL125A, VAL804D