2IJO

crystal structure of the west nile virus ns2b-ns3 protease complexed with bovine pancreatic trypsin inhibitor

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 156
  • Norm. En. per Res.: -5.7777
• 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	-212.7756	-32.2799	-656.258	-901.3136	156	39	20	24234	1	37	31
A-I	-3.329	-24.7964	-17.7234	-45.8488	23	3	0	929	1	8	1
B-I	-72.8345	-14.7907	-209.92	-297.5453	72	27	2	8196	1	6	19

Interface residues

• A-B: ALA125B, ALA164B, ALA36B, ALA38B, ALA56B, ALA57B, ALA58A, ALA66A, ARG104B, ARG24B, ARG28B, ARG56A, ARG64B, ARG74A, ARG76B, ARG78A, ASN105B, ASN108B, ASN143B, ASN152B, ASN158B, ASN84A, ASN89A, ASP129B, ASP141B, ASP145B, ASP17B, ASP51A, ASP59A, ASP65A, ASP66B, ASP75B, ASP76A, ASP80A, ASP81A, ASP82A, ASP93B, GLN110B, GLN167B, GLN35B, GLN86A, GLN96B, GLU101B, GLU120B, GLU122B, GLU43B, GLU55A, GLU63A, GLU67A, GLU73A, GLU74B, GLU94B, GLY114B, GLY121B, GLY124B, GLY144B, GLY151B, GLY153B, GLY16B, GLY1B, GLY21B, GLY29B, GLY32B, GLY37B, GLY39B, GLY61B, GLY63B, GLY70A, GLY83A, HIS51B, ILE123B, ILE139B, ILE147B, ILE155B, ILE162B, ILE165B, ILE25B, ILE54A, ILE60A, ILE68A, ILE98B, LEU128B, LEU58B, LEU65B, LEU79A, LEU85B, LEU87A, LYS107B, LYS112B, LYS117B, LYS142B, LYS54B, LYS73B, MET156B, MET26B, MET41B, MET52A, MET59B, MET88A, MET97B, PHE116B, PHE130B, PHE46B, PHE85A, PRO113B, PRO119B, PRO138B, PRO157B, PRO67B, SER160B, SER163B, SER33B, SER49A, SER60B, SER61A, SER64A, SER71A, SER71B, SER72A, THR111B, THR118B, THR127B, THR18B, THR19B, THR20B, THR27B, THR48B, THR50A, THR52B, THR53B, THR57A, THR69A, TRP50B, TRP53A, TRP62A, TRP89B, TYR23B, TYR34B, TYR79B, VAL100B, VAL106B, VAL109B, VAL115B, VAL126B, VAL140B, VAL146B, VAL154B, VAL166B, VAL22B, VAL40B, VAL42B, VAL72B, VAL75A, VAL77A, VAL95B, VAL99B
• A-I: ALA16I, ALA40I, ARG17I, ARG39I, ARG78A, ASN84A, ASP51A, ASP80A, ASP82A, CYS14I, CYS38I, GLN86A, GLY12I, GLY37I, GLY83A, ILE18I, ILE19I, LEU79A, LEU87A, LYS46I, MET52A, PHE85A, PRO13I
• B-I: ALA16I, ALA36B, ALA38B, ALA40I, ALA48I, ARG104B, ARG17I, ARG20I, ARG28B, ARG39I, ASN152B, ASN44I, ASP129B, ASP75B, CYS14I, CYS38I, GLN35B, GLU101B, GLU49I, GLY103B, GLY12I, GLY133B, GLY136B, GLY151B, GLY153B, GLY29B, GLY32B, GLY36I, GLY37B, GLY37I, HIS51B, ILE155B, ILE162B, ILE18I, ILE19I, ILE25B, LEU128B, LEU30B, LEU31B, LEU49B, LYS15I, LYS46I, LYS54B, MET156B, MET97B, PHE130B, PHE33I, PRO102B, PRO131B, PRO13I, SER135B, SER137B, SER160B, SER163B, SER47I, THR11I, THR132B, THR134B, THR27B, THR32I, THR52B, THR53B, TRP50B, TYR10I, TYR150B, TYR161B, TYR21I, TYR34B, TYR35I, VAL154B, VAL34I, VAL72B