3R66

crystal structure of human isg15 in complex with ns1 n-terminal region from influenza virus b, northeast structural genomics consortium target ids hx6481, hr2873, and or2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 142
  • Norm. En. per Res.: -4.8846
• 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	-82.3442	-37.3646	-573.904	-693.6127	142	32	20	22190	4	35	37
A-C	-8.1843	0.8763	-143.168	-150.476	64	7	5	6109	0	8	6
A-D	-15.3052	-6.7303	-84.2873	-106.3228	37	4	2	3370	0	15	19
B-C	-33.8707	-13.7344	-109.53	-157.1351	46	5	2	4610	3	18	21
B-D	0.0	0.0	-74.8942	-74.8942	55	1	4	3834	0	7	4

Interface residues

• A-B: ALA16A, ALA16B, ALA19A, ALA19B, ALA25A, ALA39A, ALA39B, ALA79B, ALA95A, ALA95B, ARG33A, ARG33B, ARG38A, ARG38B, ARG47A, ARG47B, ARG50A, ARG50B, ARG53A, ARG53B, ARG58A, ARG58B, ASN18A, ASN18B, ASN22A, ASN22B, ASP41A, ASP41B, ASP46A, ASP46B, ASP92A, ASP92B, CYS30A, CYS30B, GLN37A, GLN37B, GLN45A, GLN45B, GLN9A, GLN9B, GLU101B, GLU11A, GLU11B, GLU24A, GLU24B, GLU29A, GLU29B, GLU32A, GLU32B, GLU98B, GLY13A, GLY13B, GLY15A, GLY15B, GLY26A, GLY26B, GLY44A, GLY44B, GLY81A, GLY81B, GLY96A, GLY96B, GLY99A, GLY99B, HIS49A, HIS49B, ILE10A, ILE10B, ILE21A, ILE21B, ILE27A, ILE27B, ILE80A, ILE97A, ILE97B, LEU28A, LEU28B, LEU40A, LEU40B, LEU48A, LEU48B, LEU51A, LEU51B, LEU55A, LEU55B, LEU88A, LEU88B, LEU89A, LEU89B, LYS52A, LYS52B, LYS54A, LYS54B, LYS78A, LYS78B, LYS83A, LYS83B, LYS86A, LYS86B, MET84A, MET84B, MET85A, MET85B, MET91A, MET91B, PHE100A, PHE100B, PHE23A, PHE23B, PHE34A, PHE34B, PHE90A, PHE90B, PRO102B, PRO14A, PRO14B, PRO43A, PRO43B, SER35A, SER35B, SER94A, SER94B, THR17A, THR17B, THR20A, THR20B, THR7A, THR7B, THR8A, THR8B, TRP36A, TRP36B, TYR31A, TYR31B, TYR42A, TYR42B, VAL12A, VAL12B, VAL82A, VAL82B, VAL87A, VAL87B
• A-C: ALA11C, ALA16A, ALA19A, ALA46C, ALA53C, ALA95A, ARG44C, ASN13C, ASN18A, ASN22A, ASP76C, ASP79C, ASP92A, GLN42C, GLU101A, GLU14C, GLU98A, GLY12C, GLY13A, GLY15A, GLY51C, GLY81A, GLY96A, GLY99A, HIS48C, ILE10A, ILE80A, ILE97A, LEU10C, LEU45C, LEU54C, LEU72C, LEU73C, LEU88A, LEU89A, LYS77C, LYS83A, LYS86A, LYS8C, MET84A, MET85A, MET91A, MET9C, PHE100A, PHE23A, PHE90A, PRO102A, PRO14A, PRO49C, PRO93A, SER50C, SER94A, THR101C, THR20A, THR70C, THR8A, VAL38C, VAL47C, VAL52C, VAL71C, VAL74C, VAL75C, VAL7C, VAL87A
• A-D: ALA11D, ALA39A, ARG33A, ARG38A, ARG44D, ARG99D, ASN13D, ASP76D, ASP79D, CYS30A, GLN37A, GLN42D, GLU32A, GLU75A, GLU80D, GLY12D, GLY37D, HIS39D, ILE32D, ILE36D, LEU10D, LEU40A, LEU73D, LYS35D, LYS52A, LYS77D, LYS78A, MET9D, PHE15D, PHE34A, PRO81D, SER35A, THR33D, TRP36A, VAL38D, VAL74D, VAL75D
• B-C: ALA11C, ALA39B, ARG33B, ARG38B, ARG44C, ARG99C, ASN13C, ASP76C, ASP79C, CYS30B, GLN102C, GLN37B, GLN42C, GLU29B, GLU32B, GLU56B, GLU75B, GLU80C, GLY12C, GLY37C, HIS39C, ILE32C, ILE36C, LEU10C, LEU28B, LEU40B, LEU48B, LEU73C, LEU74B, LYS35C, LYS52B, LYS77C, LYS78B, MET9C, PHE15C, PHE34B, PHE41C, PRO81C, SER35B, THR101C, THR33C, TRP36B, TYR31B, VAL38C, VAL74C, VAL75C
• B-D: ALA11D, ALA16B, ALA19B, ALA46D, ALA53D, ALA95B, ARG44D, ASN13D, ASN18B, ASN22B, ASP76D, ASP92B, GLN42D, GLU98B, GLY12D, GLY13B, GLY15B, GLY51D, GLY81B, HIS48D, ILE10B, ILE80B, ILE97B, LEU10D, LEU45D, LEU54D, LEU72D, LEU73D, LEU88B, LEU89B, LYS77D, LYS83B, LYS86B, LYS8D, MET84B, MET85B, MET91B, MET9D, PHE23B, PHE90B, PRO14B, PRO49D, PRO93B, SER50D, SER94B, THR17B, THR20B, THR8B, VAL12B, VAL47D, VAL52D, VAL71D, VAL74D, VAL75D, VAL87B