3IJ2

ligand-receptor structure

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -2.9584
• 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-X	-15.1992	-38.3103	-95.8485	-149.358	70	6	3	5047	5	29	14
A-B	-70.9846	4.9374	-271.206	-337.2532	114	17	13	12381	0	22	24
A-Y	-20.2129	-10.7558	-24.1024	-55.0711	84	19	3	6193	3	17	17
X-B	0.0	4.2666	-75.9158	-71.6492	79	13	3	6016	3	16	15
X-Y	0.0	10.4132	-0.2597	10.1535	4	0	0	17	0	0	6
B-Y	-9.1203	-32.1786	-97.6206	-138.9195	73	10	4	5183	4	29	15

Interface residues

• A-X: ALA116A, ALA69X, ALA74X, ALA77X, ALA89A, ALA97A, ALA98A, ARG100A, ARG114A, ASN20X, ASP134X, ASP30A, ASP41X, ASP47X, ASP72A, ASP75X, ASP76X, ASP93A, CYS121X, CYS136X, CYS139X, CYS19X, CYS71X, GLN96A, GLU119X, GLU120X, GLU123X, GLU23X, GLU73X, GLU94A, GLY105X, GLY124X, GLY22X, HIS75A, ILE31A, LEU106X, LEU112A, LEU137X, LEU21X, LYS115A, LYS32A, LYS34A, LYS74A, LYS88A, LYS95A, MET67X, PHE101A, PHE86A, PRO122X, PRO135X, PRO138X, PRO38X, PRO70X, SER104X, SER113A, SER42X, SER46X, SER68X, THR117A, THR125X, THR140X, THR91A, TRP76A, TRP99A, TYR126X, VAL107X, VAL141X, VAL49X, VAL72X, VAL78X
• A-B: ALA107A, ALA107B, ALA89A, ALA89B, ARG114A, ARG114B, ARG50A, ARG50B, ARG69A, ARG69B, ASN77A, ASN77B, ASP105A, ASP105B, ASP16A, ASP16B, ASP72A, ASP72B, CYS108A, CYS108B, CYS110A, CYS110B, CYS15A, CYS15B, CYS68A, CYS68B, CYS80A, CYS80B, GLN51A, GLN51B, GLU11A, GLU11B, GLU55A, GLU55B, GLY10A, GLY10B, GLY70A, GLY70B, HIS75A, HIS75B, HIS84A, HIS84B, HIS8A, HIS8B, ILE102A, ILE102B, ILE104A, ILE104B, ILE31A, ILE31B, ILE71A, ILE71B, LEU112A, LEU112B, LYS74A, LYS74B, LYS88A, LYS88B, MET9A, MET9B, PHE101A, PHE101B, PHE12A, PHE12B, PHE49A, PHE49B, PHE53A, PHE53B, PHE54A, PHE54B, PHE86A, PHE86B, SER113A, SER113B, SER13A, SER13B, SER17A, SER17B, SER19A, SER19B, SER66A, SER73A, SER73B, SER78A, SER78B, THR106A, THR106B, THR56A, THR56B, THR81B, THR83A, THR83B, THR85A, THR85B, TRP21A, TRP21B, TRP76A, TRP76B, TRP99A, TRP99B, TYR52A, TYR52B, TYR79A, TYR79B, VAL109A, VAL109B, VAL111A, VAL111B, VAL14A, VAL14B, VAL64A, VAL64B, VAL87A, VAL87B
• A-Y: ALA40A, ALA69Y, ALA77Y, ARG50A, ARG59A, ARG69A, ARG80Y, ASN131Y, ASN43A, ASN45A, ASN46A, ASP128Y, ASP134Y, ASP157Y, ASP16A, ASP41Y, CYS118Y, CYS136Y, CYS58Y, CYS61Y, CYS68A, CYS71Y, CYS79Y, GLN111Y, GLN51A, GLU119Y, GLU11A, GLU129Y, GLU143Y, GLU60Y, GLU65A, GLU73Y, GLY105Y, GLY10A, GLY23A, GLY70A, HIS132Y, HIS8A, ILE44A, LEU106Y, LEU137Y, LEU40Y, LYS74A, MET67Y, MET9A, PHE108Y, PHE12A, PHE49A, PHE53A, PHE54A, PRO135Y, PRO138Y, PRO63A, PRO70Y, SER109Y, SER13A, SER17A, SER19A, SER42Y, SER47A, SER66A, SER66Y, SER68Y, SER73A, THR140Y, THR44Y, THR59Y, TRP21A, TYR126Y, TYR52A, TYR83Y, VAL107Y, VAL117Y, VAL133Y, VAL141Y, VAL14A, VAL18A, VAL20A, VAL22A, VAL43Y, VAL48A, VAL64A, VAL72Y, VAL78Y
• X-B: ALA69X, ALA77X, ARG50B, ARG59B, ARG69B, ARG80X, ASN131X, ASN43B, ASN45B, ASN46B, ASP128X, ASP134X, ASP16B, ASP41X, CYS118X, CYS136X, CYS142X, CYS58X, CYS61X, CYS68B, CYS71X, CYS79X, GLN111X, GLN51B, GLU119X, GLU11B, GLU129X, GLU143X, GLU60X, GLU65B, GLY105X, GLY10B, GLY23B, GLY70B, HIS132X, HIS8B, ILE44B, LEU106X, LEU137X, LEU40X, LYS74B, MET67X, MET9B, PHE108X, PHE12B, PHE49B, PHE53B, PHE54B, PRO135X, PRO138X, PRO63B, PRO70X, SER109X, SER13B, SER17B, SER19B, SER42X, SER47B, SER66X, SER68X, SER73B, THR140X, THR44X, TRP21B, TYR126X, TYR52B, TYR83X, VAL107X, VAL117X, VAL133X, VAL141X, VAL18B, VAL20B, VAL22B, VAL43X, VAL48B, VAL64B, VAL72X, VAL78X
• X-Y: ASP144X, ASP144Y, GLU143Y, VAL141X
• B-Y: ALA116B, ALA18Y, ALA69Y, ALA74Y, ALA77Y, ALA89B, ALA97B, ALA98B, ARG100B, ARG114B, ASN20Y, ASP134Y, ASP30B, ASP41Y, ASP47Y, ASP72B, ASP75Y, ASP76Y, ASP93B, CYS121Y, CYS136Y, CYS139Y, CYS19Y, CYS71Y, GLN96B, GLU119Y, GLU120Y, GLU123Y, GLU23Y, GLU73Y, GLU94B, GLY105Y, GLY124Y, GLY22Y, HIS75B, ILE31B, LEU106Y, LEU112B, LEU137Y, LEU21Y, LEU90B, LYS115B, LYS32B, LYS34B, LYS74B, LYS88B, LYS95B, MET67Y, PHE101B, PHE86B, PRO122Y, PRO135Y, PRO138Y, PRO70Y, SER104Y, SER113B, SER42Y, SER46Y, SER5Y, SER68Y, THR117B, THR125Y, THR140Y, THR91B, TRP76B, TRP99B, TYR126Y, VAL107Y, VAL141Y, VAL48Y, VAL49Y, VAL72Y, VAL78Y