2ETR

crystal structure of rock i bound to y-27632

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -3.6246
• 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	-47.5681	-98.1409	-506.717	-652.426	180	20	16	22722	7	60	54

Interface residues

• A-B: ALA119A, ALA119B, ALA36A, ALA36B, ALA386A, ALA386B, ALA73B, ARG10A, ARG10B, ARG125A, ARG125B, ARG19A, ARG19B, ARG403A, ARG58A, ARG58B, ARG67A, ARG67B, ARG70A, ARG70B, ARG99A, ASN16A, ASN16B, ASN26A, ASN26B, ASN390A, ASN390B, ASN402A, ASN402B, ASN49A, ASN49B, ASN51A, ASN51B, ASN54A, ASN54B, ASN64B, ASP15A, ASP15B, ASP28A, ASP28B, ASP32A, ASP32B, ASP35A, ASP35B, ASP40A, ASP40B, ASP53A, ASP53B, ASP61A, ASP61B, ASP68A, ASP68B, ASP75A, ASP75B, CYS29A, CYS29B, GLN391A, GLN391B, GLU12A, GLU12B, GLU24A, GLU24B, GLU74A, GLU74B, GLU8A, GLU8B, GLY33A, GLY33B, GLY389A, GLY389B, GLY396A, GLY396B, HIS95A, HIS95B, ILE113A, ILE113B, ILE52A, ILE52B, ILE63A, ILE63B, ILE66A, ILE66B, LEU17A, LEU17B, LEU18A, LEU18B, LEU30A, LEU30B, LEU31A, LEU31B, LEU34A, LEU34B, LEU37A, LEU37B, LEU392A, LEU392B, LEU41A, LEU41B, LEU46A, LEU46B, LEU56A, LEU56B, LEU69A, LEU69B, LYS100A, LYS100B, LYS13A, LYS13B, LYS50A, LYS50B, LYS60B, LYS65A, LYS65B, LYS72A, LYS72B, LYS96A, LYS96B, MET14A, MET14B, MET5B, MET71A, MET71B, PHE11A, PHE11B, PHE121A, PHE121B, PHE381A, PHE381B, PHE387A, PHE387B, PHE394A, PHE394B, PHE397A, PHE397B, PHE55A, PHE55B, PHE7A, PHE7B, PRO384A, PRO393A, PRO393B, SER116B, SER118B, SER23A, SER23B, SER27A, SER27B, SER401A, SER401B, SER6A, SER6B, SER97A, SER97B, THR62A, THR62B, THR98A, THR98B, THR9A, THR9B, TRP122A, TRP122B, TYR102A, TYR141A, TYR141B, TYR399A, TYR400A, TYR400B, TYR405A, TYR59A, TYR59B, TYR76A, TYR76B, VAL25A, VAL25B, VAL388A, VAL388B, VAL38A, VAL38B, VAL395A, VAL395B