2NS7

how an in vitro selected peptide mimics the antibiotic tetracycline to induce tet repressor

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 162
  • Norm. En. per Res.: -3.1444
• 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	-38.9783	-36.94	-518.305	-594.2233	195	35	29	22626	0	51	44
A-C	0.0	0.0	-0.0016	-0.0016	2	0	0	1	0	0	0
B-C	-4.2514	6.2279	-42.0376	-40.0611	64	0	0	2351	0	43	59
C-D	-33.5264	-72.057	-403.804	-509.3874	162	13	19	17020	5	49	39

Interface residues

• A-B: ALA118A, ALA118B, ALA130A, ALA130B, ALA133A, ALA133B, ALA136A, ALA136B, ALA154A, ALA154B, ALA173A, ALA173B, ALA182A, ALA182B, ALA185A, ALA185B, ALA203A, ALA203B, ALA97A, ALA97B, ARG104A, ARG104B, ARG171A, ARG171B, ARG195A, ARG195B, ARG49A, ARG49B, ASN115A, ASN115B, ASN129A, ASN129B, ASP148A, ASP148B, ASP178A, GLN109A, GLN109B, GLN116A, GLN116B, GLN122A, GLN122B, GLN149A, GLN149B, GLN152B, GLN172A, GLN172B, GLN180A, GLN180B, GLN200A, GLN200B, GLN206A, GLU107A, GLU107B, GLU111A, GLU111B, GLU114A, GLU114B, GLU128A, GLU128B, GLU147A, GLU147B, GLU150A, GLU150B, GLU175A, GLU175B, GLU183A, GLU183B, GLU191A, GLU191B, GLU198A, GLU198B, GLU23A, GLU23B, GLY102A, GLY102B, GLY138A, GLY138B, GLY143A, GLY143B, GLY181A, GLY181B, GLY189A, GLY189B, GLY196A, GLY196B, HIS100A, HIS100B, HIS139A, HIS139B, HIS151A, HIS151B, HIS179A, HIS179B, HIS188A, HIS188B, ILE174A, ILE174B, ILE194A, ILE194B, ILE22A, ILE22B, LEU101A, LEU101B, LEU113A, LEU113B, LEU117A, LEU117B, LEU120A, LEU120B, LEU127A, LEU127B, LEU131A, LEU131B, LEU134A, LEU134B, LEU142A, LEU142B, LEU146A, LEU146B, LEU169A, LEU169B, LEU170A, LEU170B, LEU176A, LEU176B, LEU187A, LEU187B, LEU190A, LEU190B, LEU193A, LEU193B, LEU201B, LEU204B, LEU52B, LYS155B, LYS48A, LYS48B, LYS98A, LYS98B, MET166A, MET166B, PHE119A, PHE119B, PHE125A, PHE125B, PHE140A, PHE140B, PHE177A, PHE177B, PHE186A, PHE186B, PHE197A, PHE197B, PHE86A, PHE86B, PRO105A, PRO105B, PRO167A, PRO167B, PRO168A, PRO168B, PRO184A, PRO184B, SER126A, SER126B, SER135A, SER135B, SER144A, SER144B, SER165A, SER192A, SER192B, THR103A, THR103B, THR106B, THR112A, THR112B, THR121A, THR121B, THR141A, THR141B, THR162A, THR163A, TYR110A, TYR110B, TYR132A, TYR132B, VAL137A, VAL137B, VAL145A, VAL145B, VAL153A, VAL153B, VAL199A, VAL199B
• A-C: GLU128A, LYS8C
• B-C: ALA89B, ALA89C, ARG195C, ARG3B, ARG62B, ARG62C, ARG80C, ARG87B, ARG87C, ASN11B, ASN11C, ASN81C, ASN88B, ASN88C, ASP5B, ASP61B, ASP61C, GLN180B, GLN180C, GLU111B, GLU183B, GLU183C, GLU191C, GLU58B, GLU58C, GLU71C, GLY181B, GLY181C, HIS179B, HIS179C, HIS63B, HIS63C, HIS64B, HIS64C, HIS66B, HIS66C, HIS93B, LEU14B, LEU187B, LEU187C, LEU60B, LEU60C, LEU70B, LEU70C, LYS108B, LYS108C, LYS6B, LYS84B, LYS84C, LYS8B, LYS8C, MET59B, PHE67B, PHE67C, PRO184B, PRO184C, SER7B, SER7C, SER85B, SER85C, SER92B, SER92C, THR65B, THR65C
• C-D: ALA118D, ALA130C, ALA130D, ALA133C, ALA133D, ALA136C, ALA136D, ALA154C, ALA154D, ALA173C, ALA182C, ALA182D, ALA185C, ALA185D, ALA203D, ALA97C, ALA97D, ARG104C, ARG104D, ARG171C, ARG195C, ARG195D, ARG49C, ARG49D, ASN115D, ASN129C, ASN129D, ASP148C, ASP148D, ASP164C, ASP178C, GLN109D, GLN116D, GLN122D, GLN172C, GLN180C, GLN200C, GLN200D, GLU107D, GLU111D, GLU114D, GLU128C, GLU128D, GLU147C, GLU147D, GLU150C, GLU150D, GLU175C, GLU183C, GLU183D, GLU191C, GLU191D, GLU198C, GLU198D, GLU23C, GLU23D, GLY102C, GLY102D, GLY138C, GLY138D, GLY143C, GLY143D, GLY181C, GLY181D, GLY189C, GLY189D, GLY196C, GLY196D, HIS100C, HIS100D, HIS139C, HIS139D, HIS151C, HIS151D, HIS179C, HIS188C, HIS188D, ILE174C, ILE194C, ILE194D, ILE22D, LEU101C, LEU101D, LEU113C, LEU113D, LEU117D, LEU120D, LEU127D, LEU131C, LEU131D, LEU134C, LEU134D, LEU142C, LEU142D, LEU146C, LEU146D, LEU169C, LEU170C, LEU176C, LEU187C, LEU187D, LEU190C, LEU190D, LEU193C, LEU193D, LEU201C, LEU201D, LEU205D, LEU52C, LEU52D, LYS48C, LYS48D, LYS98C, LYS98D, MET166C, PHE119D, PHE125C, PHE125D, PHE140C, PHE140D, PHE177C, PHE186C, PHE186D, PHE197C, PHE197D, PRO105C, PRO105D, PRO167C, PRO168C, PRO184C, PRO184D, SER126C, SER126D, SER135C, SER135D, SER144C, SER144D, SER165C, SER192C, SER192D, THR103C, THR103D, THR106D, THR112D, THR121D, THR141C, THR141D, THR162C, THR163C, THR202C, TYR110C, TYR110D, TYR132C, TYR132D, VAL137C, VAL137D, VAL145C, VAL145D, VAL153C, VAL153D, VAL199C, VAL199D