1UKM

crystal structure of ems16, an antagonist of collagen receptor integrin alpha2beta1 (gpia/iia)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -0.9307
• 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	-149.9929	-36.3666	57.9232	-128.4363	138	38	2	22099	8	50	44

Interface residues

• A-B: ALA39B, ALA48B, ALA82B, ALA88B, ARG104B, ARG110B, ARG37B, ARG47A, ARG73A, ARG75A, ARG76A, ARG83B, ARG91B, ARG92B, ASN117A, ASN118A, ASN120A, ASN51A, ASN68B, ASN69B, ASN81B, ASN82A, ASN86A, ASN95A, ASP115A, ASP38A, ASP73B, ASP74A, ASP80B, ASP85B, ASP87A, CYS104A, CYS120B, CYS121A, CYS29B, CYS32A, CYS74B, CYS81A, CYS95B, GLN105A, GLN45A, GLN79A, GLN80A, GLU100A, GLU26B, GLU29A, GLU45B, GLU46B, GLU47B, GLU48A, GLU49A, GLU77B, GLU84A, GLU98A, GLY106A, GLY35B, GLY39A, GLY50A, GLY66B, GLY71A, GLY88A, GLY99A, HIS114A, HIS11B, HIS14A, HIS40A, HIS42B, ILE105B, ILE119A, ILE41B, ILE44A, ILE65B, ILE70A, ILE91A, ILE92A, LEU107A, LEU38B, LEU41A, LEU67B, LEU72A, LYS101B, LYS102A, LYS121B, LYS130A, LYS72B, LYS75B, LYS87B, LYS90A, LYS90B, LYS97A, MET103A, MET30B, MET98B, PHE106B, PHE108B, PHE122B, PHE131A, PHE84B, PRO70B, PRO83A, SER101A, SER36B, SER40B, SER43A, SER43B, SER44B, SER46A, SER51B, SER79B, SER89A, THR108A, THR109B, THR111A, THR33A, THR96B, TRP107B, TRP116A, TRP22B, TRP25A, TRP64B, TRP69A, TRP71B, TRP76B, TRP78B, TRP85A, TRP89B, TRP96A, TYR26A, TYR67A, TYR86B, TYR93A, TYR94B, VAL100B, VAL119B, VAL42A, VAL94A, VAL97B, VAL99B