2BE1

structure of the compact lumenal domain of yeast ire1

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 137
  • Norm. En. per Res.: -2.7896
• Hub Node: A(1)

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	-48.7579	-8.4495	-324.964	-382.1714	137	58	8	15327	0	24	28
B-D	0.0	0.0	-44.3966	-44.3966	23	2	4	2253	0	0	0

Interface residues

• A-B: ALA246A, ALA246B, ARG196A, ARG196B, ARG230A, ARG230B, ASN111A, ASN111B, ASN209A, ASN209B, ASN253A, ASN253B, ASN298A, ASN298B, ASN307A, ASN307B, ASN368A, ASN368B, ASN370A, ASP310A, ASP310B, GLN305A, GLN305B, GLN306A, GLN306B, GLU222A, GLU222B, GLU275A, GLU275B, GLU286A, GLU286B, GLU369A, GLU369B, GLY227A, GLY227B, GLY248A, GLY248B, GLY250A, GLY250B, GLY254A, GLY254B, GLY281A, GLY281B, GLY288A, GLY288B, HIS205A, HIS205B, HIS290A, HIS290B, ILE232A, ILE232B, ILE244A, ILE244B, ILE280A, ILE280B, ILE284A, ILE284B, ILE289A, ILE289B, LEU198A, LEU198B, LEU204A, LEU204B, LEU206A, LEU206B, LEU287A, LEU287B, LEU309A, LEU309B, LYS207A, LYS207B, LYS223A, LYS223B, LYS252A, LYS252B, LYS282A, LYS282B, MET229A, MET229B, MET233A, MET233B, MET277A, MET277B, PHE247A, PHE247B, PHE285A, PHE285B, PRO203A, PRO203B, PRO249A, PRO249B, SER200A, SER200B, SER202A, SER202B, SER228A, SER228B, SER245A, SER245B, SER251A, SER251B, SER291A, SER291B, SER296A, SER296B, THR201A, THR201B, THR226A, THR226B, THR231A, THR231B, THR235A, THR235B, THR283A, THR283B, THR303A, THR367A, THR367B, TRP304A, TYR225A, TYR225B, TYR234A, TYR234B, TYR292A, TYR292B, TYR297A, TYR297B, VAL199A, VAL199B, VAL224A, VAL224B, VAL279A, VAL279B, VAL308A, VAL308B, VAL311A, VAL311B
• B-D: ARG342B, ASN378B, ASP322B, ASP338B, ASP340B, CYS325B, GLY323B, LEU339B, LYS321B, MET324B, PHE319B, PHE341B, PRO379B, SER320B, THR318B, VAL19D, VAL20D, VAL21D, VAL22D, VAL23D, VAL24D, VAL25D, VAL26D