3K23

glucocorticoid receptor with bound d-prolinamide 11

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 45
  • Norm. En. per Res.: -3.3075
• Hub Node: A(3)

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-D	-11.4245	-1.2238	-116.824	-129.4723	44	6	6	5068	0	8	9
A-B	-17.5839	-35.8397	-21.1338	-74.5573	27	3	0	1067	2	15	10
A-E	-7.5982	10.9775	-56.4353	-53.056	34	13	2	2688	0	16	17
B-E	-20.1917	-0.1493	-98.9699	-119.3109	45	4	6	5008	0	10	10
B-C	-56.6822	-33.3691	-162.375	-252.4262	83	7	5	6640	3	22	24
B-F	0.0	0.0	-0.1042	-0.1042	3	0	0	21	0	1	1
C-F	-32.97	0.0	-115.868	-148.838	45	13	6	4992	0	8	9

Interface residues

• A-D: ALA573A, ALA574A, ALA578A, ALA743D, ALA754A, ARG569A, ARG585A, ARG746D, ASN759A, ASP590A, ASP591A, ASP750D, GLN592A, GLN597A, GLN760A, GLU751A, GLU755A, GLY568A, HIS588A, ILE572A, ILE756A, LEU589A, LEU595A, LEU596A, LEU671A, LEU744D, LEU745D, LEU748D, LEU749D, LEU753A, LYS576A, LYS579A, LYS751D, MET593A, MET752A, PHE584A, PRO750A, THR594A, TRP577A, TRP600A, TYR598A, TYR747D, VAL571A, VAL575A
• A-B: ARG585B, ARG655A, ASN731A, ASP590B, ASP591B, ASP641A, GLN592B, GLN597B, GLN717A, GLU652A, GLU727A, GLU751B, HIS588B, HIS645A, LEU589B, LYS576B, LYS579B, LYS644A, LYS681B, LYS720A, LYS763B, MET593B, THR594B, TYR640A, TYR648A, TYR716A, VAL728A
• A-E: ALA618A, ALA743E, ARG655A, ARG746E, ASN731A, ASN742E, ASP723A, ASP750E, GLN713A, GLN717A, GLU652A, GLU727A, HIS645A, HIS726A, HIS775A, LEU647A, LEU656A, LEU721A, LEU744E, LEU745E, LEU748E, LEU749E, LEU773A, LYS644A, LYS720A, LYS751E, MET725A, SER651A, SER724A, TYR648A, TYR716A, TYR747E, VAL649A, VAL728A
• B-E: ALA573B, ALA574B, ALA578B, ALA580B, ALA743E, ALA754B, ARG569B, ARG585B, ARG746E, ASN742E, ASN759B, ASP590B, ASP591B, ASP750E, GLN592B, GLN597B, GLU751B, GLU755B, GLY568B, HIS588B, ILE572B, ILE756B, LEU589B, LEU595B, LEU596B, LEU744E, LEU745E, LEU748E, LEU749E, LEU753B, LYS576B, LYS579B, LYS751E, LYS763B, MET593B, MET752B, PHE584B, PRO750B, THR594B, THR758B, TRP600B, TYR598B, TYR747E, VAL571B, VAL575B
• B-C: ALA546C, ALA580C, ALA624C, ARG569C, ARG585C, ARG611C, ARG614C, ASN731B, ASN734B, ASN759B, ASN766B, ASN768B, ASP549C, ASP626C, ASP641B, ASP742B, CYS643B, CYS736B, GLN527C, GLN615C, GLN642B, GLN738B, GLN760B, GLU537C, GLU540C, GLU542C, GLU661C, GLU727B, GLU730B, GLY547C, GLY638B, GLY767B, HIS645B, ILE539C, ILE757B, ILE761B, ILE769B, LEU525C, LEU528C, LEU535C, LEU536C, LEU544C, LEU566C, LEU647B, LEU664C, LEU732B, LEU733B, LEU741B, LYS576C, LYS579C, LYS644B, LYS743B, LYS763B, MET634B, MET639B, MET646B, MET745B, PHE737B, PHE740B, PRO526C, PRO530C, PRO541C, PRO625C, PRO762B, SER534C, SER765B, THR529C, THR531C, THR744B, THR758B, TRP577C, TYR545C, TYR548C, TYR640B, TYR648B, TYR660C, TYR735B, TYR764B, VAL533C, VAL538C, VAL543C, VAL649B, VAL728B
• B-F: ASP750F, LEU749F, THR744B
• C-F: ALA573C, ALA574C, ALA578C, ALA580C, ALA743F, ALA754C, ARG569C, ARG585C, ARG746F, ASN742F, ASN759C, ASP590C, ASP591C, ASP750F, GLN592C, GLN597C, GLU741F, GLU751C, GLU755C, GLY568C, HIS588C, ILE572C, ILE756C, LEU589C, LEU595C, LEU596C, LEU744F, LEU745F, LEU748F, LEU749F, LEU753C, LYS576C, LYS579C, LYS763C, MET593C, MET752C, PHE584C, PRO750C, THR594C, THR758C, TRP600C, TYR598C, TYR747F, VAL571C, VAL575C