2JET

crystal structure of a trypsin-like mutant (s189d, a226g) chymotrypsin.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 22
  • Norm. En. per Res.: -2.7551
• 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	-8.6186	0.0	622.422	613.8034	43	8	3	4821	0	0	0
A-C	-11.6501	0.0	-48.9621	-60.6122	22	3	2	1732	0	0	0
B-C	-274.5125	-22.9838	-70.6632	-368.1595	167	46	21	31022	4	23	28

Interface residues

• A-B: ALA0A, ALA120B, ALA137B, ALA22B, ASP21B, CYS122B, CYS136B, CYS1A, GLN-1A, GLN30B, GLN7A, GLU116B, GLU20B, GLU49B, GLY19B, GLY25B, GLY2A, ILE23B, ILE47B, ILE6A, LEU10A, LEU123B, LEU46B, PHE114B, PRO24B, PRO28B, PRO4A, PRO8A, SER115B, SER119B, SER26B, SER48B, THR117B, THR138B, THR139B, THR5A, TRP27B, TRP29B, VAL118B, VAL121B, VAL135B, VAL3A, VAL9A
• A-C: ALA0A, ALA158C, ALA159C, CYS1A, CYS201C, GLN157C, GLN202C, GLN7A, GLY205C, GLY2A, LEU10A, LEU160C, LEU209C, LYS203C, PRO4A, PRO8A, THR208C, TRP207C, VAL200C, VAL206C, VAL3A, VAL9A
• B-C: ALA120B, ALA137B, ALA158C, ALA159C, ALA166C, ALA183C, ALA185C, ALA210C, ALA22B, ALA233C, ALA55B, ALA56B, ARG100B, ARG230C, ASN101B, ASN125B, ASN91B, ASP102B, ASP127B, ASP128B, ASP129B, ASP167C, ASP178C, ASP189C, ASP194C, ASP204C, ASP21B, ASP50B, ASP72B, CYS122B, CYS136B, CYS182C, CYS191C, CYS201C, CYS220C, CYS42B, CYS58B, GLN156C, GLN157C, GLN202C, GLN239C, GLN240C, GLN30B, GLN73B, GLN87B, GLU153C, GLU165C, GLU20B, GLU243C, GLU70B, GLU78B, GLY133B, GLY140B, GLY142B, GLY184C, GLY187C, GLY193C, GLY196C, GLY197C, GLY19B, GLY211C, GLY216C, GLY218C, GLY226C, GLY25B, GLY43B, GLY44B, GLY69B, GLY74B, HIS40B, HIS57B, ILE103B, ILE162C, ILE176C, ILE212C, ILE23B, ILE241C, ILE47B, LEU105B, LEU106B, LEU123B, LEU155C, LEU160C, LEU199C, LEU209C, LEU234C, LEU242C, LEU33B, LEU46B, LYS107B, LYS143B, LYS145B, LYS154C, LYS175C, LYS203C, LYS90B, LYS93B, MET180C, MET192C, MET235C, PHE130B, PHE41B, PHE71B, PHE89B, PHE94B, PHE97B, PRO124B, PRO131B, PRO132B, PRO152C, PRO161C, PRO198C, PRO236C, PRO24B, PRO28B, PRO92B, SER164C, SER174C, SER190C, SER195C, SER214C, SER217C, SER229C, SER26B, SER32B, SER45B, SER48B, THR104B, THR134B, THR138B, THR139B, THR144B, THR151C, THR177C, THR181C, THR208C, THR232C, THR54B, THR98B, TRP141B, TRP207C, TRP215C, TRP237C, TRP27B, TRP29B, TRP51B, TYR146B, TYR228C, VAL121B, VAL126B, VAL135B, VAL163C, VAL179C, VAL188C, VAL200C, VAL206C, VAL213C, VAL219C, VAL227C, VAL231C, VAL238C, VAL31B, VAL52B, VAL53B, VAL60B, VAL88B, VAL99B