3Q4J

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

• Total interactions analyzed: 55
• Total true interactions: 10
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 131
  • Norm. En. per Res.: -6.2348
• 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	-170.3041	-229.6143	-414.51	-814.4284	133	21	6	15021	15	63	50
A-C	-15.0611	-46.3579	-145.738	-207.157	89	11	0	5669	4	19	27
B-H	-25.9419	-8.476	-175.656	-210.0739	55	9	5	5928	2	5	3
C-D	-164.5111	-175.5721	-413.062	-753.1452	132	26	6	14896	10	62	48
C-I	-23.2873	-9.5314	-169.574	-202.3927	53	6	5	5808	3	5	3
D-F	-17.6933	28.5988	-201.786	-190.8805	107	21	1	7914	0	25	24
D-J	-20.8341	-13.2235	-146.648	-180.7057	50	5	5	5284	2	5	3
E-F	-173.3159	-235.3525	-408.088	-816.7563	131	20	6	15111	16	61	49
E-K	-24.3834	-9.491	-178.35	-212.2244	51	8	5	5953	2	5	3
F-L	-24.0785	-9.3661	-169.811	-203.2555	48	6	5	5758	3	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, ASN288A, ASN288B, ASN295A, ASN295B, ASN296A, ASN296B, ASN32A, ASN32B, ASP261A, 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, GLU95A, GLU95B, 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, PRO28A, 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: ALA113A, ALA113C, ALA114A, ALA114C, ALA38A, ALA38C, ALA67A, ALA67C, ARG215A, ARG215C, ARG224A, ARG224C, ARG56A, ARG56C, ASN118A, ASN118C, ASP120A, ASP120C, ASP121A, ASP121C, ASP39A, ASP39C, GLN123A, GLN123C, GLN186A, GLN217A, GLN217C, GLN36A, GLN36C, GLU125A, GLU125C, GLU127A, GLU127C, GLU64A, GLU64C, GLY219A, GLY219C, GLY40A, GLY40C, GLY66A, GLY66C, HIS226A, HIS226C, HIS63A, HIS63C, ILE218A, ILE218C, ILE231A, ILE231C, LEU119A, LEU119C, LEU188A, LEU188C, LEU34A, LEU34C, LEU35A, LEU35C, LEU42C, LEU59A, LEU59C, MET1A, MET1C, PHE128A, PHE128C, PRO189A, PRO189C, PRO62A, PRO65A, PRO65C, SER124A, SER124C, SER187A, SER187C, SER43A, SER43C, THR129A, THR129C, THR41A, THR41C, THR68A, THR68C, TRP122A, TRP122C, VAL126A, VAL126C, VAL216A, VAL216C, VAL37A, VAL37C
• B-H: ALA147B, ALA171B, ALA178B, ARG152B, ARG176B, ARG246B, ARG279B, ARG365B, ASN320B, ASP150B, ASP173B, ASP243B, ASP342B, ASP72H, GLN348B, GLN70H, GLY174B, GLY280B, GLY318B, HIS175B, ILE317B, LEU155B, LEU177B, LEU248B, LEU366B, LEU71H, LEU73H, MET362B, MET364B, PHE241B, PHE278B, PHE319B, PHE74H, PRO242B, PRO249B, PRO363B, SER145B, SER322B, SER343B, SER345B, SER346B, THR172B, TYR154B, TYR244B, TYR323B, TYR359B, VAL170B, VAL247B, VAL281B, VAL321B, VAL324B, VAL344B, VAL347B, VAL360B, VAL361B
• C-D: ALA266C, ALA266D, ALA268C, ALA268D, ALA270C, ALA270D, ALA271C, ALA271D, ALA294C, ALA294D, ALA302C, ALA302D, ALA86C, ALA86D, ARG100C, ARG100D, ARG103C, ARG103D, ARG105C, ARG105D, ARG269C, ARG269D, ARG73C, ARG73D, ARG7C, ARG7D, ARG80C, ARG80D, ARG96C, ARG96D, ASN275C, ASN275D, ASN288C, ASN295C, ASN295D, ASN296C, ASN296D, ASN32C, ASP261C, ASP307C, ASP307D, ASP77C, ASP77D, CYS79C, CYS79D, GLN265C, GLN265D, GLN289C, GLN289D, GLN299C, GLN299D, GLU276C, GLU276D, GLU298C, GLU298D, GLU300C, GLU300D, GLU301C, GLU301D, GLU303C, GLU303D, GLU304C, GLU304D, GLU84C, GLU84D, GLU95C, GLU95D, GLY102C, GLY102D, GLY81C, GLY81D, ILE272C, ILE272D, ILE292C, ILE292D, ILE305C, ILE305D, ILE78C, ILE78D, LEU108C, LEU108D, LEU262C, LEU262D, LEU273C, LEU273D, LEU290C, LEU290D, LEU306C, LEU306D, LEU82C, LEU82D, LEU98C, LEU98D, LYS291C, LYS291D, LYS74C, LYS74D, MET97C, MET97D, PHE106C, PHE106D, PHE267C, PHE267D, PHE75C, PHE75D, PHE76C, PHE76D, PRO297C, PRO297D, PRO71C, PRO71D, PRO83C, PRO83D, SER101C, SER101D, SER104C, SER104D, SER107C, SER107D, SER109C, SER109D, SER274C, SER274D, THR110C, THR110D, THR293C, THR293D, VAL308C, VAL70C, VAL70D, VAL99C, VAL99D
• C-I: ALA147C, ALA171C, ALA178C, ARG152C, ARG176C, ARG246C, ARG279C, ARG365C, ASN320C, ASP173C, ASP243C, ASP342C, ASP72I, GLN348C, GLN70I, GLY174C, GLY280C, GLY318C, HIS175C, ILE317C, LEU155C, LEU177C, LEU248C, LEU71I, LEU73I, MET362C, MET364C, PHE241C, PHE278C, PHE319C, PHE74I, PRO242C, PRO249C, PRO363C, SER145C, SER322C, SER343C, SER345C, SER346C, THR172C, TYR154C, TYR244C, TYR323C, TYR359C, VAL170C, VAL247C, VAL281C, VAL321C, VAL324C, VAL344C, VAL347C, VAL360C, VAL361C
• D-F: ALA113D, ALA114D, ALA38D, ALA38F, ALA67D, ALA67F, ARG215D, ARG215F, ARG224F, ARG56D, ARG56F, ASN118D, ASN118F, ASN221F, ASP115D, ASP120D, ASP120F, ASP121D, ASP121F, ASP39D, ASP39F, GLN123D, GLN123F, GLN186F, GLN217D, GLN217F, GLN36D, GLN36F, GLU125D, GLU125F, GLU127D, GLU127F, GLU165F, GLU52D, GLU64D, GLU64F, GLY164F, GLY219D, GLY219F, GLY40D, GLY40F, GLY66D, GLY66F, HIS191D, HIS191F, HIS226D, HIS63D, HIS63F, ILE184F, ILE218D, ILE218F, ILE231F, ILE29D, LEU119D, LEU119F, LEU130F, LEU188D, LEU188F, LEU214F, LEU34D, LEU34F, LEU35D, LEU35F, LEU42F, LEU44F, LEU59D, LEU92D, LYS2D, MET1D, PHE116D, PHE128D, PHE128F, PRO112D, PRO117D, PRO189D, PRO189F, PRO213F, PRO62D, PRO65D, PRO65F, SER124D, SER124F, SER187D, SER187F, SER190F, SER220D, SER220F, SER43D, SER43F, THR129F, THR162F, THR41D, THR41F, THR45D, THR45F, THR47D, THR68D, THR69D, TRP122D, TRP122F, VAL126D, VAL126F, VAL216D, VAL216F, VAL37D, VAL37F, VAL54F
• D-J: ALA147D, ALA171D, ALA178D, ARG152D, ARG176D, ARG246D, ARG279D, ARG365D, ASN320D, ASP173D, ASP243D, ASP72J, GLN70J, GLY174D, GLY280D, GLY318D, HIS175D, ILE317D, LEU155D, LEU177D, LEU248D, LEU71J, LEU73J, MET362D, MET364D, PHE241D, PHE278D, PHE319D, PHE74J, PRO242D, PRO249D, PRO363D, SER145D, SER322D, SER343D, SER345D, SER346D, THR172D, TYR154D, TYR244D, TYR323D, TYR359D, VAL170D, VAL247D, VAL321D, VAL324D, VAL344D, VAL347D, VAL360D, VAL361D
• E-F: ALA266E, ALA266F, ALA268E, ALA268F, ALA270E, ALA270F, ALA271E, ALA271F, ALA294E, ALA294F, ALA302E, ALA302F, ALA86E, ALA86F, ARG100E, ARG100F, ARG103E, ARG103F, ARG105E, ARG105F, ARG269E, ARG269F, ARG73E, ARG73F, ARG7E, ARG7F, ARG80E, ARG80F, ARG96E, ARG96F, ASN275F, ASN288E, ASN288F, ASN295E, ASN295F, ASN296E, ASN296F, ASP261E, ASP261F, ASP307E, ASP307F, ASP77E, ASP77F, CYS79E, CYS79F, GLN265E, GLN265F, GLN289E, GLN289F, GLN299E, GLN299F, GLU276E, GLU276F, GLU298E, GLU298F, GLU300E, GLU300F, GLU301E, GLU301F, GLU303E, GLU303F, GLU304E, GLU304F, GLU84E, GLU84F, GLU95E, GLY102E, GLY102F, GLY81E, GLY81F, ILE272E, ILE272F, ILE292E, ILE292F, ILE305E, ILE305F, ILE78E, ILE78F, LEU108E, LEU108F, LEU262E, LEU262F, LEU273E, LEU273F, LEU290E, LEU290F, LEU306E, LEU306F, LEU82E, LEU82F, LEU98E, LEU98F, LYS291E, LYS291F, LYS74E, LYS74F, MET97E, MET97F, PHE106E, PHE106F, PHE267E, PHE75E, PHE75F, PHE76E, PHE76F, PRO297E, PRO297F, PRO71E, PRO71F, PRO83E, PRO83F, SER101E, SER101F, SER104E, SER104F, SER107E, SER107F, SER109E, SER109F, SER274E, SER274F, THR110E, THR110F, THR293E, THR293F, VAL308E, VAL308F, VAL70E, VAL70F, VAL99E, VAL99F
• E-K: ALA147E, ALA171E, ALA178E, ARG152E, ARG176E, ARG246E, ARG279E, ARG365E, ASN320E, ASP150E, ASP173E, ASP243E, ASP342E, ASP72K, GLN348E, GLN70K, GLY174E, GLY280E, GLY318E, HIS175E, ILE317E, LEU155E, LEU177E, LEU248E, LEU71K, LEU73K, MET362E, MET364E, PHE241E, PHE278E, PHE319E, PHE74K, PRO242E, PRO249E, PRO363E, SER145E, SER343E, SER345E, SER346E, THR172E, TYR154E, TYR244E, TYR323E, TYR359E, VAL170E, VAL247E, VAL321E, VAL344E, VAL347E, VAL360E, VAL361E
• F-L: ALA147F, ALA171F, ALA178F, ARG152F, ARG176F, ARG246F, ARG279F, ARG365F, ASN320F, ASP150F, ASP173F, ASP243F, ASP72L, GLN70L, GLY174F, GLY280F, GLY318F, HIS175F, ILE317F, LEU155F, LEU177F, LEU248F, LEU71L, LEU73L, MET362F, MET364F, PHE241F, PHE278F, PHE319F, PHE74L, PRO242F, PRO249F, PRO363F, SER145F, SER343F, SER345F, SER346F, THR172F, TYR154F, TYR244F, TYR323F, TYR359F, VAL170F, VAL247F, VAL344F, VAL347F, VAL360F, VAL361F