2QY0

active dimeric structure of the catalytic domain of c1r reveals enzyme-product like contacts

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 61
  • Norm. En. per Res.: -2.555
• 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	-22.5924	-31.7511	224.501	170.1574	72	13	5	9704	1	13	8
A-D	-16.0202	14.5454	-135.89	-137.3648	64	6	0	5602	0	20	17
B-C	-12.2341	12.2371	-155.855	-155.852	61	9	0	5702	0	20	19
C-D	-27.387	-31.557	262.22	203.276	71	15	4	9336	1	14	9

Interface residues

• A-B: ALA453B, ALA642B, ALA653B, ARG429A, ARG444A, ARG478B, ARG594B, ARG644B, ARG650B, ASN367A, ASN439A, ASN457B, ASN555B, ASN647B, ASP477B, ASP645B, ASP649B, CYS430A, CYS434A, CYS560B, GLN443A, GLN445A, GLN451B, GLU442A, GLY435A, GLY456B, GLY476B, GLY553B, GLY574B, HIS390A, ILE559B, LEU431A, LEU474B, LEU475B, LEU552B, LEU556B, LEU557B, LEU561B, LYS395A, LYS436A, LYS452B, LYS454B, MET455B, MET573B, PHE458B, PHE592B, PRO392A, PRO432A, PRO437A, PRO440A, PRO459B, PRO554B, PRO558B, PRO646B, SER549B, SER577B, THR507B, THR551B, THR648B, TRP460B, TRP479B, TRP651B, TYR393A, TYR394A, TYR575B, VAL433A, VAL438A, VAL441A, VAL550B, VAL593B, VAL643B, VAL652B
• A-D: ALA319A, ALA339A, ALA498D, ALA587D, ARG314A, ARG349A, ARG469D, ARG521D, ASN306A, ASN465D, ASN497D, ASN508D, ASN517D, ASN548D, ASP315A, ASP343A, ASP501D, ASP589D, CYS341A, GLN305A, GLN308A, GLN342A, GLN415A, GLU510D, GLU511D, GLU547D, GLY468D, GLY516D, HIS335A, HIS348A, HIS518D, HIS588D, ILE318A, ILE466D, ILE586D, LEU327A, LEU334A, LEU500D, LEU512D, LEU515D, LYS357A, LYS514D, MET513D, PHE313A, PHE317A, PHE337A, PHE463D, PHE503D, PRO519D, SER336A, SER496D, SER499D, SER549D, THR320A, THR338A, THR346A, THR464D, TRP347A, TYR316A, VAL333A, VAL340A, VAL502D, VAL509D, VAL550D
• B-C: ALA319C, ALA339C, ALA498B, ALA587B, ARG314C, ARG349C, ARG469B, ARG521B, ASN306C, ASN465B, ASN508B, ASN517B, ASN548B, ASP315C, ASP343C, ASP344C, ASP501B, ASP589B, CYS341C, GLN305C, GLN308C, GLN342C, GLN415C, GLU510B, GLU511B, GLU547B, GLY516B, HIS335C, HIS348C, HIS518B, HIS588B, ILE318C, ILE466B, ILE586B, LEU327C, LEU334C, LEU500B, LEU512B, LEU515B, LYS357C, LYS514B, MET513B, PHE313C, PHE317C, PHE337C, PHE463B, PHE503B, PRO519B, SER336C, SER499B, SER549B, THR320C, THR338C, THR346C, THR464B, TRP347C, TYR316C, VAL340C, VAL502B, VAL509B, VAL550B
• C-D: ALA453D, ALA653D, ARG444C, ARG478D, ARG594D, ARG644D, ARG650D, ASN367C, ASN439C, ASN457D, ASN555D, ASN647D, ASP477D, ASP645D, ASP649D, CYS430C, CYS434C, CYS560D, GLN443C, GLN445C, GLN451D, GLU442C, GLY435C, GLY456D, GLY476D, GLY553D, GLY574D, HIS390C, ILE559D, LEU431C, LEU474D, LEU475D, LEU552D, LEU556D, LEU557D, LEU561D, LYS395C, LYS436C, LYS452D, LYS454D, MET455D, MET573D, MET684D, PHE458D, PHE592D, PRO366C, PRO392C, PRO432C, PRO437C, PRO440C, PRO459D, PRO554D, PRO558D, PRO646D, SER549D, SER577D, THR551D, THR648D, TRP460D, TRP479D, TRP651D, TYR393C, TYR394C, TYR575D, VAL433C, VAL438C, VAL441C, VAL550D, VAL593D, VAL643D, VAL652D