1NWI

crystal structure of co-hbi transformed to an unligated state

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -3.252
• Hub Node: A(1)

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	-44.2588	-35.5416	-232.391	-312.1915	96	12	3	9872	5	41	29
C-D	-48.4692	-32.2272	-236.443	-317.1395	98	13	3	9915	6	41	30

Interface residues

• A-B: ALA76A, ALA76B, ALA98A, ALA98B, ARG104A, ARG104B, ARG53A, ARG53B, ARG67A, ARG67B, ASN100A, ASN100B, ASN63A, ASN63B, ASN79A, ASN79B, ASN86A, ASN86B, ASP64A, ASP64B, ASP82A, ASP82B, ASP88A, ASP88B, ASP89A, ASP89B, CYS92A, CYS92B, GLN78A, GLN78B, GLN83A, GLN83B, GLU95A, GLU95B, GLY68A, GLY68B, HIS101A, HIS101B, HIS69A, HIS69B, ILE102A, ILE102B, ILE71A, ILE71B, ILE81A, ILE81B, LEU54A, LEU54B, LEU66A, LEU66B, LEU73A, LEU73B, LEU77A, LEU77B, LEU90A, LEU90B, LYS29A, LYS29B, LYS30A, LYS30B, LYS65A, LYS65B, LYS96A, LYS96B, MET37A, MET37B, MET61A, MET61B, MET74A, MET74B, PHE51A, PHE51B, PHE80A, PHE80B, PHE97A, PHE97B, PRO87A, PRO87B, SER70A, SER70B, THR103A, THR103B, THR72A, THR72B, TYR4A, TYR4B, TYR75A, TYR75B, VAL91A, VAL91B, VAL93A, VAL93B, VAL94A, VAL94B, VAL99A, VAL99B
• C-D: ALA76C, ALA76D, ALA98C, ALA98D, ARG104C, ARG104D, ARG53C, ARG53D, ARG67C, ARG67D, ASN100C, ASN100D, ASN63C, ASN63D, ASN79C, ASN79D, ASN86C, ASN86D, ASP64C, ASP64D, ASP82C, ASP82D, ASP88C, ASP88D, ASP89C, ASP89D, CYS92C, CYS92D, GLN78C, GLN78D, GLN83C, GLN83D, GLU95C, GLU95D, GLY68C, GLY68D, HIS101C, HIS101D, HIS69C, HIS69D, ILE102C, ILE102D, ILE71C, ILE71D, ILE81C, ILE81D, LEU54C, LEU54D, LEU66C, LEU66D, LEU73C, LEU73D, LEU77C, LEU77D, LEU90C, LEU90D, LYS29C, LYS29D, LYS30C, LYS30D, LYS65C, LYS65D, LYS96C, LYS96D, MET37C, MET37D, MET61C, MET61D, MET74C, MET74D, PHE51C, PHE51D, PHE80C, PHE80D, PHE97C, PHE97D, PRO87C, PRO87D, SER70C, SER70D, THR103C, THR103D, THR72C, THR72D, TRP22C, TRP22D, TYR4C, TYR4D, TYR75C, TYR75D, VAL91C, VAL91D, VAL93C, VAL93D, VAL94C, VAL94D, VAL99C, VAL99D