2GDD

human beta ii tryptase with inhibitor cra-27592

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 91
  • Norm. En. per Res.: -4.4878
• 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-B	0.0	0.0	-113.958	-113.958	43	2	1	4075	0	4	4
A-D	-86.9219	0.0	-294.969	-381.8909	91	19	13	10737	2	14	6
B-C	-101.0157	0.0	-307.375	-408.3907	91	16	13	10868	2	14	6
C-D	-11.2778	0.0	-108.241	-119.5188	44	3	1	4121	0	4	4

Interface residues

• A-B: ARG150A, ARG150B, ARG24A, ARG24B, ARG34A, ARG34B, ASP80A, ASP80B, GLN71A, GLN71B, GLN79A, GLN79B, GLU149A, GLU149B, GLU70A, HIS40A, HIS40B, HIS72A, HIS72B, LEU151A, LEU151B, LEU73A, LEU73B, MET39A, MET39B, PHE153A, PHE153B, PRO152A, PRO152B, PRO154A, PRO154B, PRO37A, PRO37B, TRP38A, TRP38B, TYR37A, TYR37B, TYR74A, TYR74B, TYR75A, TYR75B, VAL144A, VAL144B
• A-D: ALA101A, ALA101D, ALA104A, ALA104D, ALA173A, ALA173D, ALA56A, ALA56D, ALA97A, ALA97D, ARG174A, ARG174D, ARG177A, ARG177D, ARG224A, ARG224D, ARG87A, ARG87D, ASP173A, ASP173D, ASP60A, ASP60D, GLN93A, GLN93D, GLN98A, GLN98D, GLU217A, GLU217D, GLY100A, GLY100D, GLY173A, GLY173D, GLY216A, GLY216D, GLY60A, GLY60D, HIS173A, HIS173D, HIS57A, HIS57D, HIS91A, HIS91D, ILE175A, ILE175D, ILE227A, ILE227D, ILE88A, ILE88D, ILE89A, ILE89D, ILE99A, ILE99D, LEU106A, LEU173A, LEU173D, LEU61A, LEU61D, LEU64A, LYS60A, LYS60D, MET180A, MET180D, PHE94A, PHE94D, PRO60A, PRO60D, PRO92A, PRO92D, THR173A, THR173D, THR96A, THR96D, TRP215A, TRP215D, TRP237A, TYR172A, TYR172D, TYR173A, TYR173D, TYR95A, TYR95D, VAL173A, VAL173D, VAL176A, VAL176D, VAL59A, VAL59D, VAL60A, VAL60D, VAL90A, VAL90D
• B-C: ALA101B, ALA101C, ALA104B, ALA104C, ALA173B, ALA173C, ALA56B, ALA56C, ALA97B, ALA97C, ARG174B, ARG174C, ARG177B, ARG177C, ARG224B, ARG224C, ARG87C, ASP173B, ASP173C, ASP60B, ASP60C, CYS58B, GLN93B, GLN93C, GLN98B, GLN98C, GLU217B, GLU217C, GLY100B, GLY100C, GLY173B, GLY173C, GLY216B, GLY216C, GLY60B, GLY60C, HIS173B, HIS173C, HIS57B, HIS57C, HIS91B, HIS91C, ILE175B, ILE175C, ILE227B, ILE227C, ILE88B, ILE88C, ILE89B, ILE89C, ILE99B, ILE99C, LEU173B, LEU173C, LEU61B, LEU61C, LEU64B, LEU64C, LYS60B, LYS60C, MET180B, MET180C, PHE94B, PHE94C, PRO60B, PRO60C, PRO92B, PRO92C, THR173B, THR173C, THR96B, THR96C, TRP215B, TRP215C, TRP237C, TYR172B, TYR172C, TYR173B, TYR173C, TYR95B, TYR95C, VAL173B, VAL173C, VAL176B, VAL176C, VAL59B, VAL59C, VAL60B, VAL60C, VAL90B, VAL90C
• C-D: ARG150C, ARG150D, ARG24C, ARG24D, ARG34C, ARG34D, ASP80C, ASP80D, GLN71C, GLN71D, GLN79C, GLN79D, GLU149C, GLU149D, GLU70C, GLU70D, HIS40C, HIS40D, HIS72C, HIS72D, LEU151C, LEU151D, LEU73C, LEU73D, MET39C, MET39D, PHE153C, PHE153D, PRO152C, PRO152D, PRO154C, PRO154D, PRO37C, PRO37D, TRP38C, TRP38D, TYR37C, TYR37D, TYR74C, TYR74D, TYR75C, TYR75D, VAL144C, VAL144D