3Q4K

structure of a small peptide ligand bound to e.coli dna sliding clamp

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 131
  • Norm. En. per Res.: -4.8114
• 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	-135.7477	-140.5236	-354.028	-630.2993	131	18	6	13568	9	55	44
A-C	-24.4912	-8.658	-78.3327	-111.4819	35	4	2	2903	0	5	3
B-D	-21.506	-8.0717	-89.1383	-118.716	38	6	3	3041	0	5	3

Interface residues

• A-B: ALA266A, ALA266B, ALA268A, ALA268B, ALA270A, ALA270B, ALA271A, ALA271B, ALA294A, ALA294B, ALA302A, ALA302B, ALA86A, ALA86B, ARG100A, ARG100B, ARG103A, ARG103B, ARG105A, ARG105B, ARG269A, ARG269B, ARG73A, ARG73B, ARG7A, ARG7B, ARG80A, ARG80B, ARG96A, ARG96B, ASN275A, ASN275B, ASN288A, ASN288B, ASN295A, ASN295B, ASN296A, ASN296B, ASN32B, ASP261A, ASP261B, ASP307A, ASP307B, ASP77A, ASP77B, CYS79A, CYS79B, GLN265A, GLN265B, GLN289A, GLN289B, GLN299A, GLN299B, GLU276A, GLU276B, GLU298A, GLU298B, GLU300A, GLU300B, GLU301A, GLU301B, GLU303A, GLU303B, GLU304A, GLU304B, GLU84A, GLU84B, GLY102A, GLY102B, GLY81A, GLY81B, ILE272A, ILE272B, ILE292A, ILE292B, ILE305A, ILE305B, ILE78A, ILE78B, LEU108A, LEU108B, LEU262A, LEU262B, LEU273A, LEU273B, LEU290A, LEU290B, LEU306A, LEU306B, LEU82A, LEU82B, LEU98A, LEU98B, LYS291A, LYS291B, LYS74A, LYS74B, MET97A, MET97B, PHE106A, PHE106B, PHE75A, PHE75B, PHE76A, PHE76B, PRO297A, PRO297B, PRO71A, PRO71B, PRO83A, PRO83B, SER101A, SER101B, SER104A, SER104B, SER107A, SER107B, SER109A, SER109B, SER274A, SER274B, THR110A, THR110B, THR293A, THR293B, VAL308A, VAL308B, VAL70A, VAL70B, VAL99A, VAL99B
• A-C: ALA171A, ALA178A, ARG152A, ARG176A, ARG246A, ARG365A, ASN320A, ASP173A, ASP243A, ASP370C, GLN368C, GLY174A, GLY280A, GLY318A, HIS175A, LEU155A, LEU177A, LEU248A, LEU371C, MET362A, MET364A, PHE278A, PHE319A, PRO242A, PRO249A, PRO363A, SER346A, THR172A, TYR244A, TYR323A, VAL247A, VAL344A, VAL347A, VAL360A, VAL361A
• B-D: ALA171B, ALA178B, ARG152B, ARG176B, ARG246B, ARG365B, ASN320B, ASP173B, ASP243B, ASP370D, GLN368D, GLY174B, GLY318B, HIS175B, LEU155B, LEU177B, LEU248B, LEU366B, LEU371D, MET362B, MET364B, PHE278B, PHE319B, PRO242B, PRO249B, PRO363B, SER145B, SER345B, SER346B, THR172B, TYR244B, TYR323B, TYR359B, VAL247B, VAL344B, VAL347B, VAL360B, VAL361B