1PCG

helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 43
  • Norm. En. per Res.: -3.062
• 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	-4.5635	92.5596	-379.378	-291.3819	143	23	10	16153	0	42	58
A-E	-7.757	-2.8522	-112.209	-122.8181	41	4	7	5036	0	7	4
B-F	-17.2379	0.0	-114.428	-131.6659	43	12	7	5204	0	7	2

Interface residues

• A-B: ALA430A, ALA430B, ALA491A, ALA491B, ALA505A, ALA505B, ALA546B, ARG412A, ARG412B, ARG434A, ARG434B, ARG477A, ARG477B, ARG503A, ARG503B, ARG515A, ARG515B, ASN455A, ASN455B, ASN519A, ASN519B, ASP426A, ASP426B, ASP473B, ASP480A, ASP480B, ASP484A, ASP484B, GLN498A, GLN498B, GLN499A, GLN499B, GLN500A, GLN500B, GLN502A, GLN502B, GLN506A, GLN506B, GLU385A, GLU385B, GLU423A, GLU423B, GLU523A, GLU523B, GLY457A, GLY457B, HIS377A, HIS377B, HIS476A, HIS476B, HIS488A, HIS488B, HIS501A, HIS501B, HIS513A, HIS513B, HIS516A, HIS516B, HIS547A, HIS547B, ILE424A, ILE451A, ILE451B, ILE452A, ILE452B, ILE475A, ILE475B, ILE482A, ILE482B, ILE487A, ILE487B, ILE510A, ILE510B, ILE514A, ILE514B, LEU378A, LEU428A, LEU429A, LEU448A, LEU448B, LEU454A, LEU454B, LEU462A, LEU462B, LEU469B, LEU479A, LEU479B, LEU486A, LEU486B, LEU497A, LEU497B, LEU504A, LEU504B, LEU507A, LEU507B, LEU508A, LEU508B, LEU509A, LEU509B, LEU511A, LEU511B, LYS472B, LYS481A, LYS481B, LYS520A, LYS520B, MET427A, MET427B, MET437A, MET437B, MET438A, MET438B, MET517A, MET517B, MET522A, MET522B, PHE435A, PHE435B, PHE461A, PHE461B, SER381A, SER381B, SER432A, SER433A, SER433B, SER456A, SER456B, SER464B, SER512A, SER512B, SER518A, SER518B, THR431A, THR431B, THR460A, THR460B, THR483A, THR483B, THR485B, TYR459A, TYR459B, VAL458A, VAL458B
• A-E: ALA361A, ALA546A, ARG6E, ASN359A, ASP374A, ASP538A, ASP545A, CYS5E, GLN375A, GLN9E, GLU380A, GLU542A, HIS356A, HIS373A, HIS377A, ILE358A, ILE3E, LEU354A, LEU370A, LEU372A, LEU378A, LEU379A, LEU453A, LEU4E, LEU539A, LEU540A, LEU541A, LEU7E, LEU8E, LYS1E, LYS362A, MET357A, MET543A, PHE367A, SER381A, THR371A, TRP383A, TYR537A, VAL355A, VAL368A, VAL376A
• B-F: ALA361B, ALA382B, ALA546B, ARG6F, ASN359B, ASP351B, ASP374B, ASP538B, ASP545B, CYS5F, GLN375B, GLN9F, GLU380B, GLU542B, HIS356B, HIS373B, HIS377B, ILE358B, ILE3F, LEU354B, LEU370B, LEU372B, LEU378B, LEU379B, LEU453B, LEU4F, LEU539B, LEU540B, LEU541B, LEU7F, LEU8F, LYS1F, LYS362B, MET357B, MET543B, PHE367B, SER381B, THR371B, TRP383B, TYR537B, VAL355B, VAL368B, VAL376B