1RGQ

m9a hcv protease complex with pentapeptide keto-amide inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 105
  • Norm. En. per Res.: -5.2485
• 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-B	-14.5756	0.3545	-108.575	-122.7961	62	2	5	4621	0	6	7
A-C	0.0	-1.2369	-30.9627	-32.1996	30	0	3	1596	0	3	1
A-D	-90.4047	-6.6288	-232.675	-329.7086	80	11	16	10089	0	4	4
B-C	-141.4675	-26.7746	-382.854	-551.0961	105	19	20	15830	2	4	6
B-D	0.0	0.0	-52.6638	-52.6638	20	0	0	1811	0	2	1
C-D	-31.4009	0.0	-81.8694	-113.2703	26	4	4	3149	0	0	5

Interface residues

• A-B: ALA10B, ALA114B, ALA150A, ALA150B, ALA4B, ALA8B, ARG120B, ARG133B, ARG95A, ASP106A, ASP106B, ASP115B, CYS100A, CYS102A, CYS148A, CYS148B, GLN11B, GLN12B, GLN31A, GLU35A, GLY103A, GLY151A, GLY151B, GLY3B, HIS113B, HIS152A, ILE117A, ILE117B, ILE6B, LEU107A, LEU107B, LEU109A, LEU109B, LEU129B, LEU130B, LEU146A, LEU147A, LEU147B, LEU97A, PRO118A, PRO118B, PRO132B, PRO145A, PRO149A, PRO149B, PRO5B, PRO99A, SER104A, SER131B, THR101A, THR7B, THR98A, TYR108A, TYR108B, TYR137B, TYR9B, VAL110A, VAL110B, VAL116A, VAL116B, VAL119B, VAL32A
• A-C: ALA114A, ALA36C, ARG112A, ARG95A, ASP115A, GLN31A, GLN37A, GLU33A, GLU35A, GLY33C, GLY34A, GLY93A, HIS113A, ILE37C, ILE38A, ILE38C, LEU109A, LEU147A, LEU47A, LYS34C, PRO145A, PRO35C, PRO39C, SER94A, THR111A, TYR108A, VAL110A, VAL116A, VAL32A, VAL36A
• A-D: ALA114A, ALA153A, ALA36D, ALA42A, ALA48A, ALA62A, ALA68A, ALA90A, ARG112A, ARG28D, ARG65A, ARG95A, ASP115A, CYS50A, CYS55A, GLN31A, GLN37A, GLN44A, GLN76A, GLN92A, GLU33A, GLU35A, GLY144A, GLY151A, GLY21D, GLY27D, GLY33D, GLY34A, GLY61A, GLY63A, GLY72A, GLY93A, HIS113A, HIS152A, ILE25D, ILE29D, ILE37D, ILE38A, ILE67A, LEU147A, LEU31D, LEU47A, LEU97A, LYS34D, PHE46A, PRO145A, PRO35D, PRO70A, PRO73A, PRO89A, PRO91A, SER141A, SER22D, SER32D, SER40A, SER69A, SER94A, SER96A, THR111A, THR41A, THR45A, THR49A, THR57A, THR64A, THR66A, THR98A, TRP88A, TYR108A, VAL110A, VAL116A, VAL23D, VAL24D, VAL26D, VAL30D, VAL32A, VAL36A, VAL39A, VAL58A, VAL74A, VAL86A
• B-C: ALA10B, ALA114B, ALA153B, ALA42B, ALA48B, ALA4B, ALA62B, ALA68B, ALA8B, ALA90B, ARG112B, ARG14B, ARG27B, ARG28C, ARG65B, ARG95B, ASN30B, ASP115B, ASP28B, CYS19B, CYS50B, CYS55B, GLN11B, GLN12B, GLN1B, GLN31B, GLN37B, GLN44B, GLN76B, GLU33B, GLU35B, GLY140B, GLY144B, GLY151B, GLY15B, GLY18B, GLY21C, GLY26B, GLY27C, GLY33C, GLY34B, GLY3B, GLY61B, GLY63B, GLY72B, GLY93B, HIS113B, HIS152B, ILE20B, ILE21B, ILE25C, ILE29C, ILE38B, ILE67B, ILE6B, LEU109B, LEU147B, LEU16B, LEU24B, LEU31C, LEU47B, LEU97B, LYS20C, LYS34C, MET2B, PHE46B, PRO145B, PRO35C, PRO5B, PRO70B, PRO73B, PRO91B, SER141B, SER22C, SER23B, SER32C, SER40B, SER69B, SER94B, SER96B, THR111B, THR13B, THR22B, THR25B, THR41B, THR43B, THR45B, THR49B, THR57B, THR64B, THR66B, THR7B, TRP88B, TYR9B, VAL110B, VAL116B, VAL23C, VAL24C, VAL26C, VAL30C, VAL32B, VAL36B, VAL39B, VAL74B, VAL86B
• B-D: ALA10B, ALA114B, ALA36D, ALA8B, GLN11B, GLN12B, GLU33B, GLY33D, HIS113B, ILE37D, ILE6B, LEU31D, LYS34D, PRO35D, PRO5B, SER32D, THR13B, THR7B, TYR9B, VAL30D
• C-D: ALA36C, ALA36D, ARG28C, ARG28D, GLY27D, GLY33C, GLY33D, ILE29C, ILE29D, ILE37C, ILE37D, ILE38C, LEU31C, LEU31D, LYS34C, LYS34D, LYS40C, LYS41C, PRO35C, PRO35D, PRO39C, SER32C, SER32D, VAL26D, VAL30C, VAL30D