3K22

glucocorticoid receptor with bound alaninamide 10 with tif2 peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 48
  • Norm. En. per Res.: -3.3911
• 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-H	-6.6742	-21.7184	-134.379	-162.7716	48	5	6	6206	0	9	13
A-B	0.0	0.0	-154.957	-154.957	79	7	10	7539	0	12	4
B-D	-7.0391	-18.8379	-127.375	-153.252	51	7	7	6166	1	14	15

Interface residues

• A-H: ALA573A, ALA574A, ALA578A, ALA580A, ALA743H, ALA754A, ARG585A, ARG746H, ASN742H, ASN759A, ASP590A, ASP591A, ASP750H, GLN592A, GLN597A, GLN760A, GLU741H, GLU751A, GLU755A, HIS588A, ILE572A, ILE756A, ILE757A, LEU587A, LEU589A, LEU595A, LEU596A, LEU671A, LEU744H, LEU745H, LEU748H, LEU749H, LEU753A, LYS576A, LYS579A, LYS751H, LYS763A, MET593A, MET752A, PHE584A, PRO762A, THR594A, THR758A, TRP600A, TYR598A, TYR747H, VAL571A, VAL575A
• A-B: ALA580A, ALA580B, ARG585A, ARG585B, ARG690A, ARG690B, ASN586A, ASN586B, ASP687A, ASP687B, GLN527A, GLN527B, GLU537A, GLU537B, GLU540A, GLU540B, GLU542A, GLU542B, GLU684B, GLU688A, GLU688B, GLU696A, GLU696B, GLY583A, GLY583B, ILE539A, ILE539B, ILE581A, ILE581B, ILE689A, ILE689B, LEU525B, LEU528A, LEU528B, LEU532A, LEU532B, LEU535A, LEU535B, LEU536A, LEU536B, LEU587A, LEU587B, LEU672A, LEU672B, LEU685A, LEU685B, LYS576A, LYS576B, LYS695B, LYS699A, LYS699B, MET691A, MET691B, PHE584A, PHE584B, PHE686A, PHE686B, PRO526A, PRO526B, PRO530A, PRO530B, PRO582A, PRO582B, SER534A, SER534B, THR524B, THR529A, THR529B, THR531A, THR531B, THR692A, THR692B, TRP577A, TYR693A, TYR693B, VAL533A, VAL533B, VAL538A, VAL538B
• B-D: ALA573B, ALA574B, ALA578B, ALA580B, ALA743D, ALA754B, ARG585B, ARG746D, ASN742D, ASN759B, ASP590B, ASP591B, ASP750D, GLN592B, GLN597B, GLN760B, GLU741D, GLU751B, GLU755B, GLY568B, HIS588B, ILE572B, ILE756B, ILE757B, LEU587B, LEU589B, LEU595B, LEU596B, LEU671B, LEU744D, LEU745D, LEU748D, LEU749D, LEU753B, LYS576B, LYS579B, LYS681B, LYS740D, LYS751D, LYS763B, MET593B, MET752B, PHE584B, PRO750B, THR594B, THR758B, TRP600B, TYR598B, TYR747D, VAL571B, VAL575B