3Q2H

adamts1 in complex with n-hydroxyformamide inhibitors of adam-ts4

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 105
  • Norm. En. per Res.: -2.9481
• 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	-50.5219	-86.1067	-172.924	-309.5527	105	15	1	8296	7	39	40

Interface residues

• A-B: ALA19A, ALA19B, ALA232A, ARG106A, ARG106B, ARG234A, ARG234B, ARG300B, ARG39A, ASN217A, ASN217B, ASN233A, ASN233B, ASN295A, ASP224A, ASP224B, ASP231A, ASP231B, ASP243A, ASP243B, CYS282A, GLN220A, GLN220B, GLN237A, GLN237B, GLU20A, GLU20B, GLU242A, GLU242B, GLU284A, GLU284B, GLY223A, GLY223B, GLY227A, GLY227B, GLY23A, GLY23B, GLY241A, GLY241B, GLY25A, GLY25B, GLY279A, GLY283A, GLY283B, GLY285A, GLY285B, HIS22A, HIS22B, HIS246A, HIS246B, HIS28A, HIS28B, HIS61A, HIS61B, ILE219A, ILE219B, ILE289A, ILE57A, LEU225A, LEU26A, LEU26B, LEU297A, LEU297B, LEU31A, LEU31B, LYS245A, LYS245B, LYS27A, LYS27B, LYS286A, LYS296A, LYS296B, MET18A, MET18B, PHE21A, PHE21B, PHE238A, PHE238B, PRO218B, PRO222A, PRO222B, PRO226A, PRO248A, PRO299B, SER229A, SER229B, SER244A, SER244B, SER24A, SER24B, SER281A, SER281B, THR228A, THR228B, THR32A, THR32B, TRP287A, TYR230A, TYR230B, TYR29A, TYR29B, VAL298A, VAL298B, VAL59A, VAL59B