3DCG

crystal structure of the hiv vif bc-box in complex with human elonginb and elonginc

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 92
  • Norm. En. per Res.: -4.8
• Hub Node: A(4)

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	-75.3167	-22.0626	-319.689	-417.0683	93	16	6	12216	2	23	22
A-C	-73.8857	-159.2567	-230.411	-463.5534	106	16	0	9132	11	29	32
A-D	0.0	-11.9769	-10.9887	-22.9656	27	0	1	879	0	12	12
A-F	0.0	0.0	-0.2454	-0.2454	6	0	0	56	0	0	0
B-C	-12.8026	-4.928	-20.1315	-37.8621	27	0	1	1181	2	12	12
B-F	-19.2634	0.646	-226.435	-245.0524	61	6	18	8714	0	4	2
C-D	-73.2439	-49.4784	-318.88	-441.6023	92	15	6	11937	3	22	21
C-E	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0
D-E	-37.6681	1.0751	-216.075	-252.668	62	7	19	8537	0	4	2

Interface residues

• A-B: ALA100B, ALA18A, ALA71A, ALA73A, ALA96B, ARG68A, ARG82B, ARG8A, ARG9A, ASP17A, ASP25B, ASP2A, CYS74B, GLN65A, GLN70A, GLU102B, GLU28B, GLU91A, GLU92B, GLU98A, GLU98B, GLY26B, GLY33A, HIS10A, HIS27B, HIS35B, HIS68B, ILE14A, ILE22B, ILE30A, ILE30B, ILE34A, ILE65B, ILE7A, ILE90A, ILE90B, ILE95B, ILE99B, LEU101B, LEU21B, LEU35A, LEU5A, LEU70B, LEU99A, LYS11A, LYS19A, LYS20B, LYS32B, LYS72B, LYS80B, MET17B, MET1A, MET6A, MET75B, PHE15A, PHE29B, PHE4A, PHE77B, PHE93A, PHE93B, PRO100A, PRO66B, PRO69A, PRO72A, PRO91B, PRO92A, PRO94B, PRO96A, PRO97A, PRO97B, SER23B, SER24B, SER64A, SER67B, SER71B, SER94A, SER95A, THR12A, THR13A, THR16A, THR74A, THR78B, TYR18B, TYR76B, TYR79B, TYR83B, VAL19B, VAL31A, VAL31B, VAL3A, VAL69B, VAL73B, VAL81B
• A-C: ALA67A, ALA67C, ALA71A, ALA71C, ALA73A, ALA73C, ALA78A, ALA78C, ALA87A, ALA87C, ARG43A, ARG43C, ARG68A, ARG68C, ARG80A, ARG80C, ARG8A, ARG8C, ASP40A, ASP40C, ASP47A, ASP47C, ASP48A, ASP48C, ASP82C, ASP83A, CYS60A, CYS60C, CYS89A, CYS89C, GLN49A, GLN49C, GLN65A, GLN65C, GLN70A, GLN70C, GLU41A, GLU41C, GLU59A, GLU59C, GLU86A, GLU86C, GLU91A, GLU91C, GLU98A, GLU98C, GLY58A, GLY58C, GLY61A, GLY61C, ILE90A, ILE90C, LEU50A, LEU50C, LEU51A, LEU51C, LEU57A, LEU57C, LEU5A, LEU5C, LEU88A, LEU88C, LEU99A, LYS46A, LYS46C, LYS55A, LYS55C, MET6A, MET6C, PHE15A, PHE15C, PHE62A, PHE62C, PHE85A, PHE85C, PHE93A, PHE93C, PRO69A, PRO72A, PRO72C, PRO92A, PRO92C, PRO96A, PRO96C, PRO97A, PRO97C, SER64A, SER94A, SER94C, SER95A, SER95C, THR13A, THR13C, THR56C, THR63A, THR63C, THR66A, THR66C, THR74A, THR74C, THR84A, THR84C, TYR45A, TYR45C, VAL75A, VAL75C
• A-D: ALA96D, ARG43A, ASP47A, ASP48A, ASP52A, GLN49A, GLU59A, GLU92D, GLU98D, HIS27D, HIS68D, ILE95D, ILE99D, LEU50A, LEU51A, LYS46A, LYS55A, LYS72D, MET75D, PHE29D, PHE85A, PHE93D, PRO94D, PRO97D, SER67D, SER71D, TYR45A
• A-F: ALA152F, GLN70A, LEU148F, LEU153F, LEU99A, LYS155F
• B-C: ALA96B, ARG43C, ASP47C, ASP48C, ASP52C, CYS60C, GLN49C, GLU59C, GLU92B, GLU98B, HIS68B, ILE95B, ILE99B, LEU50C, LEU51C, LYS46C, LYS55C, LYS72B, MET75B, PHE29B, PHE85C, PHE93B, PRO94B, PRO97B, SER67B, SER71B, TYR45C
• B-F: ALA100B, ALA106B, ALA107B, ALA149F, ALA151F, ALA152F, ALA96B, ARG82B, ASN108B, ASN140F, ASN85B, ASP111B, CYS112B, CYS74B, GLN146F, GLU102B, GLU89B, GLU92B, GLU98B, GLY143F, GLY40B, ILE154F, ILE90B, ILE95B, ILE99B, LEU101B, LEU103B, LEU104B, LEU110B, LEU145F, LEU148F, LEU150F, LEU153F, LEU70B, LYS141F, LYS155F, LYS72B, LYS80B, MET105B, MET75B, PHE109B, PHE77B, PHE93B, PRO91B, PRO94B, PRO97B, SER144F, SER39B, SER86B, THR38B, THR41B, THR78B, THR84B, TYR147F, TYR76B, TYR79B, TYR83B, VAL142F, VAL69B, VAL73B, VAL81B
• C-D: ALA100D, ALA18C, ALA67C, ALA71C, ALA73C, ALA96D, ARG68C, ARG82D, ARG8C, ARG9C, ASP17C, ASP25D, ASP2C, CYS74D, GLN70C, GLU102D, GLU28D, GLU91C, GLU92D, GLU98C, GLU98D, GLY26D, GLY33C, HIS10C, HIS27D, HIS35D, HIS68D, ILE14C, ILE22D, ILE30C, ILE30D, ILE34C, ILE65D, ILE7C, ILE90C, ILE90D, ILE95D, ILE99D, LEU101D, LEU21D, LEU35C, LEU5C, LEU70D, LYS11C, LYS19C, LYS20D, LYS32D, LYS72D, LYS80D, MET105D, MET17D, MET1C, MET6C, MET75D, PHE15C, PHE29D, PHE4C, PHE77D, PHE93C, PHE93D, PRO66D, PRO69C, PRO72C, PRO91D, PRO92C, PRO94D, PRO96C, PRO97C, PRO97D, SER23D, SER24D, SER64C, SER67D, SER71D, SER94C, SER95C, THR12C, THR13C, THR16C, THR74C, THR78D, TYR18D, TYR76D, TYR79D, TYR83D, VAL19D, VAL31C, VAL31D, VAL3C, VAL69D, VAL73D, VAL81D
• C-E: GLN70C, LEU148E
• D-E: ALA100D, ALA106D, ALA107D, ALA149E, ALA151E, ALA152E, ALA96D, ARG82D, ASN108D, ASN140E, ASN85D, ASP111D, CYS112D, CYS74D, GLN146E, GLU102D, GLU89D, GLU92D, GLU98D, GLY143E, GLY40D, ILE154E, ILE90D, ILE95D, ILE99D, LEU101D, LEU103D, LEU104D, LEU110D, LEU145E, LEU148E, LEU150E, LEU153E, LEU70D, LYS141E, LYS155E, LYS72D, LYS80D, MET105D, MET75D, PHE109D, PHE77D, PHE93D, PRO91D, PRO94D, PRO97D, SER144E, SER39D, SER86D, SER87D, THR38D, THR78D, THR84D, THR88D, TYR147E, TYR76D, TYR79D, TYR83D, VAL142E, VAL69D, VAL73D, VAL81D