2BM2

human beta-ii tryptase in complex with 4-(3-aminomethyl- phenyl)-piperidin-1-yl-(5-phenethyl- pyridin-3-yl)- methanone

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 91
  • Norm. En. per Res.: -4.3811
• Hub Node: A(2)

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-C	-94.8847	0.0	-303.793	-398.6777	91	16	11	10782	4	14	6
A-D	-12.6095	0.0	-101.966	-114.5755	44	3	1	3877	0	4	4
B-C	-14.0032	0.0	-102.036	-116.0392	43	3	1	3799	0	4	4
B-D	-76.4978	0.0	-288.348	-364.8458	95	15	12	10537	3	14	5

Interface residues

• A-C: ALA101A, ALA101C, ALA104A, ALA104C, ALA173A, ALA173C, ALA56A, ALA56C, ALA97A, ALA97C, ARG174A, ARG174C, ARG177A, ARG177C, ARG224A, ARG224C, ARG87C, ASP173A, ASP173C, ASP60A, ASP60C, CYS58A, GLN93A, GLN93C, GLN98A, GLN98C, GLU217A, GLU217C, GLY100A, GLY100C, GLY173A, GLY173C, GLY216A, GLY216C, GLY60A, GLY60C, HIS173A, HIS173C, HIS57A, HIS57C, HIS91A, HIS91C, ILE175A, ILE175C, ILE227A, ILE227C, ILE88A, ILE88C, ILE89A, ILE89C, ILE99A, ILE99C, LEU106C, LEU173A, LEU173C, LEU61A, LEU61C, LEU64A, LEU64C, LYS60A, LYS60C, MET180A, MET180C, PHE94A, PHE94C, PRO60A, PRO60C, PRO92A, PRO92C, THR173A, THR173C, THR96A, THR96C, TRP215A, TRP215C, TRP237A, TYR172A, TYR172C, TYR173A, TYR173C, TYR95A, TYR95C, VAL173A, VAL173C, VAL176C, VAL59A, VAL59C, VAL60A, VAL60C, VAL90A, VAL90C
• A-D: ARG150A, ARG150D, ARG24A, ARG24D, ARG34A, ARG34D, ASP80A, ASP80D, GLN71A, GLN71D, GLN79A, GLN79D, GLU149A, GLU149D, GLU70A, GLU70D, GLY37A, HIS40A, HIS40D, HIS72A, HIS72D, LEU151A, LEU151D, LEU73A, LEU73D, MET39A, MET39D, PHE153A, PHE153D, PRO152A, PRO152D, PRO154D, PRO37A, PRO37D, TRP38A, TRP38D, TYR37A, TYR37D, TYR74A, TYR74D, TYR75A, TYR75D, VAL144A, VAL144D
• B-C: ARG150B, ARG150C, ARG24C, ARG34B, ARG34C, ASP80B, ASP80C, GLN71B, GLN79B, GLN79C, GLU149B, GLU149C, GLU70B, GLY37B, GLY37C, HIS40B, HIS40C, HIS72B, HIS72C, LEU151B, LEU151C, LEU73B, LEU73C, MET39B, MET39C, PHE153B, PHE153C, PRO152B, PRO152C, PRO154B, PRO154C, PRO37B, PRO37C, TRP38B, TRP38C, TYR37B, TYR37C, TYR74B, TYR74C, TYR75B, TYR75C, VAL144B, VAL144C
• B-D: ALA101B, ALA101D, ALA104B, ALA104D, ALA173B, ALA173D, ALA56B, ALA56D, ALA97B, ALA97D, ARG174B, ARG174D, ARG177B, ARG177D, ARG224B, ARG224D, ARG87B, ARG87D, ASP173B, ASP173D, ASP60B, ASP60D, CYS58B, GLN221B, GLN93B, GLN93D, GLN98B, GLN98D, GLU217B, GLU217D, GLY100B, GLY100D, GLY173B, GLY173D, GLY216B, GLY216D, GLY60B, GLY60D, HIS173B, HIS173D, HIS57B, HIS91B, HIS91D, ILE175B, ILE175D, ILE227B, ILE227D, ILE88B, ILE88D, ILE89B, ILE89D, ILE99B, ILE99D, LEU106B, LEU106D, LEU173B, LEU173D, LEU61B, LEU61D, LEU64B, LEU64D, LYS60B, LYS60D, MET180B, MET180D, PHE94B, PHE94D, PRO60B, PRO60D, PRO92B, PRO92D, THR173B, THR173D, THR96B, THR96D, TRP215B, TRP215D, TRP237B, TRP237D, TYR172B, TYR172D, TYR173B, TYR173D, TYR95B, TYR95D, VAL173B, VAL173D, VAL176B, VAL176D, VAL59B, VAL59D, VAL60B, VAL60D, VAL90B, VAL90D