3CL3

crystal structure of a vflip-ikkgamma complex: insights into viral activation of the ikk signalosome

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 53
  • Norm. En. per Res.: -3.8714
• 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-D	-26.0852	-18.8646	-160.237	-205.1867	53	10	2	5471	1	9	12
A-E	-14.0529	6.0889	-40.7987	-48.7627	39	1	1	2059	0	12	13
B-D	-15.8903	0.442	-44.4459	-59.8942	37	2	1	1942	0	11	10
B-E	-2.9483	-14.7858	-121.705	-139.4391	47	10	1	4620	1	10	11
D-E	-6.5673	-20.0337	-277.488	-304.089	105	12	25	11203	0	31	32

Interface residues

• A-D: ALA57A, ARG50A, ARG70A, ARG78A, ARG82A, ASN243D, ASP242D, ASP76A, GLN231D, GLN236D, GLN239D, GLU240D, GLU58A, GLU81A, GLY49A, GLY86A, HIS235D, HIS244D, HIS74A, HIS83A, ILE245D, LEU227D, LEU230D, LEU237D, LEU51A, LEU55A, LEU56A, LEU69A, LEU72A, LEU73A, LEU75A, LEU80A, LEU84A, LYS246D, MET88A, PHE238D, PHE53A, PHE79A, PHE91A, PRO54A, PRO77A, SER247D, SER248D, SER89A, THR52A, THR87A, TYR234D, TYR241D, TYR90A, VAL232D, VAL249D, VAL250D, VAL6A
• A-E: ALA228E, ALA233E, ALA2A, ARG225E, ARG50A, ARG70A, ASP71A, ASP76A, GLN229E, GLN236E, GLN239E, GLU240E, GLU5A, GLU9A, GLY49A, HIS244E, HIS74A, LEU230E, LEU237E, LEU51A, LEU55A, LEU56A, LEU69A, LEU72A, LEU73A, LEU75A, LYS226E, LYS46A, PHE53A, PHE79A, PRO54A, SER247E, THR3A, THR52A, TYR234E, TYR241E, TYR4A, VAL232E, VAL6A
• B-D: ALA233D, ALA2B, ARG225D, ARG50B, ASN243D, ASP71B, GLN229D, GLN231D, GLN236D, GLN239D, GLU240D, GLU5B, GLY49B, HIS235D, HIS244D, HIS74B, LEU230D, LEU237D, LEU51B, LEU55B, LEU56B, LEU72B, LEU73B, LEU75B, LYS226D, LYS46B, PHE53B, PRO54B, SER247D, THR3B, THR52B, TYR234D, TYR241D, TYR4B, TYR90B, VAL232D, VAL6B
• B-E: ALA57B, ARG50B, ARG70B, ARG78B, ASN243E, ASP242E, ASP76B, GLN231E, GLN236E, GLN239E, GLU240E, GLU58B, GLY49B, GLY86B, HIS235E, HIS244E, HIS74B, HIS83B, ILE245E, LEU230E, LEU237E, LEU51B, LEU55B, LEU56B, LEU69B, LEU72B, LEU73B, LEU75B, LEU80B, LEU84B, LYS246E, MET88B, PHE238E, PHE53B, PHE79B, PRO54B, PRO77B, SER247E, SER89B, THR52B, THR87B, TYR234E, TYR241E, TYR90B, VAL232E, VAL249E, VAL6B
• D-E: ALA211D, ALA211E, ALA212D, ALA212E, ALA219D, ALA219E, ALA220D, ALA220E, ALA228D, ALA228E, ALA233D, ALA233E, ARG203D, ARG203E, ARG214D, ARG214E, ARG217D, ARG217E, ARG225D, ARG225E, ASN243D, ASN243E, ASP200D, ASP200E, ASP242D, ASP242E, GLN198D, GLN198E, GLN201D, GLN205D, GLN205E, GLN207D, GLN207E, GLN218D, GLN218E, GLN229D, GLN229E, GLN231D, GLN231E, GLN236D, GLN236E, GLN239D, GLN239E, GLU210D, GLU210E, GLU216D, GLU216E, GLU222D, GLU222E, GLU223D, GLU223E, GLU240D, GLU240E, GLY206D, GLY206E, HIS195D, HIS235D, HIS235E, HIS244D, HIS244E, ILE245D, ILE245E, LEU202D, LEU202E, LEU213D, LEU213E, LEU227D, LEU227E, LEU230D, LEU230E, LEU237D, LEU237E, LYS224D, LYS224E, LYS226D, LYS226E, LYS246D, LYS246E, MET204D, MET215D, MET215E, PHE238D, PHE238E, SER196D, SER196E, SER208D, SER208E, SER221D, SER221E, SER247D, SER247E, SER248D, SER248E, TYR234D, TYR234E, TYR241D, TYR241E, VAL197E, VAL199D, VAL199E, VAL209D, VAL209E, VAL232D, VAL232E, VAL249D