4A6L

beta-tryptase inhibitor

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 96
  • Norm. En. per Res.: -4.0633
• 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	-93.1023	30.8906	-318.768	-380.9797	95	13	13	10934	2	14	4
A-D	0.0	0.0	-131.27	-131.27	50	1	1	4633	0	4	4
B-C	0.0	0.0	-144.426	-144.426	49	1	1	4726	0	4	4
B-D	-93.8099	29.4636	-325.735	-390.0813	96	12	13	10831	2	14	4

Interface residues

• A-C: ALA104A, ALA104C, ALA108A, ALA108C, ALA111A, ALA111C, ALA185A, ALA185C, ALA58A, ALA58C, ARG192A, ARG192C, ARG195A, ARG195C, ARG243A, ARG243C, ARG94A, ARG94C, ASP189A, ASP189C, ASP190A, ASP190C, ASP64A, ASP64C, ASP67A, ASP67C, GLN100A, GLN100C, GLN105A, GLN105C, GLU235A, GLU235C, GLY107A, GLY107C, GLY184A, GLY184C, GLY188A, GLY188C, GLY62A, GLY62C, HIS182A, HIS182C, HIS98A, HIS98C, ILE106A, ILE106C, ILE193A, ILE193C, ILE246A, ILE246C, ILE95A, ILE95C, ILE96A, ILE96C, LEU113C, LEU183A, LEU183C, LEU68A, LEU68C, LEU71A, LEU71C, LYS66A, LYS66C, MET198A, MET198C, PHE101A, PHE101C, PRO63A, PRO63C, PRO99A, PRO99C, THR103A, THR103C, THR187A, THR187C, TRP233A, TRP233C, TRP256A, TYR102A, TYR102C, TYR181A, TYR181C, TYR186A, TYR186C, VAL191A, VAL191C, VAL194A, VAL194C, VAL61A, VAL61C, VAL65A, VAL65C, VAL92C, VAL97A, VAL97C
• A-D: ARG157A, ARG157D, ARG24A, ARG24D, ARG34A, ARG34D, ASP87A, ASP87D, GLN78A, GLN78D, GLN86A, GLN86D, GLU156A, GLU156D, GLU77A, GLU77D, GLY37A, GLY37D, HIS42A, HIS42D, HIS79A, HIS79D, LEU158A, LEU158D, LEU80A, LEU80D, MET41A, MET41D, PHE162A, PHE162D, PRO159A, PRO159D, PRO160A, PRO160D, PRO161A, PRO161D, PRO163A, PRO163D, PRO38A, PRO38D, TRP40A, TRP40D, TYR39A, TYR39D, TYR81A, TYR81D, TYR82A, TYR82D, VAL151A, VAL151D
• B-C: ARG157B, ARG157C, ARG24B, ARG24C, ARG34B, ARG34C, ASP87B, ASP87C, GLN78B, GLN78C, GLN86B, GLN86C, GLU156B, GLU156C, GLU77B, GLU77C, GLY37C, HIS42B, HIS42C, HIS79B, HIS79C, LEU158B, LEU158C, LEU80B, LEU80C, MET41B, MET41C, PHE162B, PHE162C, PRO159B, PRO159C, PRO160B, PRO160C, PRO161B, PRO161C, PRO163B, PRO163C, PRO38B, PRO38C, TRP40B, TRP40C, TYR39B, TYR39C, TYR81B, TYR81C, TYR82B, TYR82C, VAL151B, VAL151C
• B-D: ALA104B, ALA104D, ALA108B, ALA108D, ALA111B, ALA111D, ALA185B, ALA185D, ALA58B, ALA58D, ARG192B, ARG192D, ARG195B, ARG195D, ARG243B, ARG243D, ARG94B, ARG94D, ASP189B, ASP189D, ASP190B, ASP190D, ASP64B, ASP64D, ASP67B, ASP67D, GLN100B, GLN100D, GLN105B, GLN105D, GLU235B, GLU235D, GLY107B, GLY107D, GLY184B, GLY184D, GLY188B, GLY188D, GLY62B, GLY62D, HIS182B, HIS182D, HIS98B, HIS98D, ILE106B, ILE106D, ILE193B, ILE193D, ILE246B, ILE246D, ILE95B, ILE95D, ILE96B, ILE96D, LEU113B, LEU113D, LEU183B, LEU183D, LEU68B, LEU68D, LEU71B, LEU71D, LYS66B, LYS66D, MET198B, MET198D, PHE101B, PHE101D, PRO63B, PRO63D, PRO99B, PRO99D, THR103B, THR103D, THR187B, THR187D, TRP233B, TRP233D, TRP256B, TRP256D, TYR102B, TYR102D, TYR181B, TYR181D, TYR186B, TYR186D, VAL191B, VAL191D, VAL194B, VAL194D, VAL61B, VAL61D, VAL65B, VAL65D, VAL97B, VAL97D