2SEM

sem5 sh3 domain complexed with peptoid inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 27
  • Norm. En. per Res.: -5.2153
• 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-B	0.0	20.7225	689.876	710.5985	32	7	0	2119	0	4	3
A-C	-13.5594	-31.8607	-95.3924	-140.8125	27	4	0	3110	1	4	0
A-D	0.0	0.0	-0.0071	-0.0071	4	0	0	7	0	0	0
B-C	0.0	0.0	-0.0965	-0.0965	5	0	0	39	0	0	0
B-D	-6.386	-46.1159	-92.0071	-144.509	32	6	0	3266	1	10	1

Interface residues

• A-B: ALA161A, ALA261B, ARG177A, ARG277B, ASN206A, ASN212A, ASN306B, ASN312B, ASN314B, ASP279B, CYS209A, CYS309B, GLN160A, GLN260B, GLY178A, GLY278B, LEU162A, LEU262B, PHE163A, PHE263B, PRO189A, PRO210A, PRO310B, SER205A, SER313B, TRP192A, TYR207A, TYR211A, TYR307B, TYR311B, VAL208A, VAL308B
• A-C: ARG177A, ARG8C, ASN166A, ASN190A, ASN206A, ASP164A, GLN168A, GLU169A, GLU172A, ILE202A, LEU162A, PHE163A, PHE165A, PHE175A, PHE203A, PRO167A, PRO204A, PRO2C, PRO3C, PRO4C, PRO7C, SER170A, SER205A, TRP191A, TYR207A, VAL208A, VAL5C
• A-D: ASN212A, GLN160A, PRO13D, TYR211A
• B-C: ASN314B, GLN260B, PRO3C, PRO4C, TYR311B
• B-D: ARG18D, ARG19D, ARG277B, ASN266B, ASN290B, ASN306B, ASP264B, ASP287B, ASP288B, GLN268B, GLU269B, GLU272B, GLY271B, ILE302B, LEU262B, LEU273B, PHE263B, PHE265B, PHE303B, PRO12D, PRO13D, PRO14D, PRO17D, PRO267B, PRO289B, PRO304B, SER270B, SER305B, TRP291B, TYR307B, VAL15D, VAL308B