2YJD

stapled peptide bound to estrogen receptor beta

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 42
  • Norm. En. per Res.: -2.5499
• 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	-23.3521	53.1331	-285.837	-256.056	117	19	7	11759	0	28	25
A-C	0.0	-16.0684	-78.857	-94.9254	39	1	7	4035	1	9	2
B-D	-5.2644	-22.0452	-79.7852	-107.0948	42	3	7	4124	2	9	2

Interface residues

• A-B: ALA382A, ALA382B, ALA427A, ALA427B, ALA432A, ALA432B, ALA436A, ALA436B, ALA442B, ALA456A, ALA456B, ALA468A, ALA468B, ARG329A, ARG329B, ARG386A, ARG386B, ARG454A, ARG454B, ARG466A, ARG466B, ASN407A, ASN407B, ASN431A, ASN431B, ASN457A, ASN457B, ASN470A, ASN470B, ASP378B, ASP435A, ASP435B, GLN449A, GLN449B, GLN450A, GLN450B, GLN451A, GLN451B, GLU337A, GLU337B, GLU389A, GLU389B, GLU474A, GLU474B, GLY472A, HIS428B, HIS464A, HIS464B, HIS467A, HIS467B, ILE404A, ILE404B, ILE441A, ILE441B, LEU330A, LEU390B, LEU406A, LEU406B, LEU430A, LEU430B, LEU437A, LEU437B, LEU455A, LEU455B, LEU458A, LEU458B, LEU459A, LEU459B, LEU461A, LEU461B, LEU462A, LEU462B, LEU477A, LEU477B, LYS471A, LYS471B, MET379A, MET379B, MET403A, MET403B, MET453A, MET453B, MET460A, MET460B, MET473A, MET473B, PRO265A, PRO265B, SER333A, SER333B, SER408A, SER408B, SER409A, SER409B, SER423A, SER423B, SER448A, SER448B, SER452A, SER452B, SER463A, SER463B, SER469A, SER469B, THR383A, THR383B, THR434A, THR434B, TRP439A, TRP439B, VAL400B, VAL433A, VAL433B, VAL438A, VAL438B, VAL465A, VAL465B
• A-C: ACE0C, ALA313A, ALA497A, ARG329A, ASN496A, ASP10C, ASP326A, GLN327A, GLN9C, GLU332A, GLU493A, HIS1C, HIS5C, ILE310A, ILE3C, LEU306A, LEU322A, LEU324A, LEU330A, LEU331A, LEU405A, LEU490A, LEU4C, LEU7C, LEU8C, LYS314A, LYS315A, MET309A, MET494A, PHE319A, PHE325A, SER11C, SER311A, SER323A, SER333A, TRP335A, VAL307A, VAL320A, VAL328A
• B-D: ACE0D, ALA313B, ALA497B, ARG329B, ASN496B, ASP10D, ASP326B, ASP489B, GLN327B, GLN9D, GLU332B, GLU493B, HIS1D, HIS5D, ILE310B, ILE3D, LEU306B, LEU322B, LEU324B, LEU330B, LEU331B, LEU405B, LEU490B, LEU491B, LEU492B, LEU495B, LEU4D, LEU7D, LEU8D, LYS314B, LYS315B, MET309B, MET494B, PHE319B, PHE325B, SER11D, SER311B, SER323B, TRP335B, VAL307B, VAL320B, VAL328B