3ZQI

structure of tetracycline repressor in complex with inducer peptide-tip2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 49
  • Norm. En. per Res.: -5.89
• 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	-136.4273	-55.6818	-731.783	-923.8921	229	25	34	29681	7	100	82
A-C	-21.8345	3.1298	-193.404	-212.1087	63	5	0	6472	0	9	14
A-D	-18.6857	-34.6923	-130.921	-184.299	50	3	0	5361	2	17	13
B-C	-37.0624	-83.9583	-167.588	-288.6087	49	3	0	6156	8	15	13
B-D	-21.8139	0.2052	-174.566	-196.1747	62	3	0	6205	0	8	14

Interface residues

• A-B: ALA118A, ALA118B, ALA130A, ALA130B, ALA133A, ALA133B, ALA136A, ALA136B, ALA154A, ALA154B, ALA173A, ALA173B, ALA182A, ALA182B, ALA185A, ALA185B, ALA203A, ALA203B, ALA50A, ALA50B, ALA54B, ALA56A, ALA97A, ALA97B, ARG104A, ARG104B, ARG158A, ARG158B, ARG171A, ARG171B, ARG195A, ARG195B, ARG49A, ARG49B, ASN115A, ASN115B, ASN129A, ASN129B, ASN47A, ASN47B, ASP148A, ASP148B, ASP164A, ASP164B, ASP178A, ASP178B, ASP53A, ASP53B, GLN109A, GLN109B, GLN116A, GLN116B, GLN122A, GLN122B, GLN149A, GLN149B, GLN152A, GLN152B, GLN172A, GLN172B, GLN180A, GLN180B, GLN200A, GLN200B, GLU107A, GLU107B, GLU111A, GLU111B, GLU114A, GLU114B, GLU128A, GLU128B, GLU147A, GLU147B, GLU150A, GLU150B, GLU156A, GLU156B, GLU157A, GLU157B, GLU159A, GLU159B, 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, 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, LEU190A, LEU190B, LEU193A, LEU193B, LEU201A, LEU201B, LEU204A, LEU204B, LEU52A, LEU52B, LYS155A, LYS155B, LYS46A, LYS46B, LYS48A, LYS48B, LYS98A, LYS98B, MET166A, MET166B, PHE119A, PHE119B, PHE125A, PHE125B, PHE140A, PHE140B, PHE177A, PHE177B, PHE186A, PHE186B, PHE197A, PHE197B, PHE86A, PHE86B, PRO105A, PRO105B, PRO161A, PRO161B, PRO167A, PRO167B, PRO168A, PRO168B, PRO184A, PRO184B, SER126A, SER126B, SER135A, SER135B, SER144A, SER144B, SER165A, SER165B, SER192A, SER192B, THR103A, THR103B, THR106A, THR106B, THR112A, THR112B, THR121A, THR121B, THR141A, THR141B, THR160A, THR162B, THR163A, THR163B, THR202A, TYR110A, TYR110B, TYR132A, TYR132B, TYR42A, TYR42B, VAL137A, VAL137B, VAL145A, VAL145B, VAL153A, VAL153B, VAL199A, VAL199B, VAL99A, VAL99B
• A-C: ALA118A, ALA130A, ALA133A, ALA136A, ALA56A, ALA6C, ALA7C, ALA83A, ALA89A, ALA97A, ALA9C, ARG104A, ARG10C, ARG87A, ARG8C, ASN115A, ASN82A, ASP53A, GLN109A, GLN116A, GLU107A, GLU114A, GLY102A, GLY138A, HIS100A, HIS139A, HIS15C, HIS64A, HIS66A, ILE57A, LEU101A, LEU113A, LEU117A, LEU120A, LEU127A, LEU131A, LEU134A, LEU142A, LEU5C, LEU60A, LEU79A, LEU90A, MET11C, MET13C, PHE140A, PHE67A, PHE78A, PHE86A, PRO105A, SER135A, SER68A, SER85A, THR103A, THR106A, THR112A, THR141A, TRP12C, TRP14C, TRP16C, TYR110A, TYR132A, VAL137A, VAL99A
• A-D: ALA154A, ALA173A, ALA182A, ALA185A, ALA6D, ALA7D, ALA9D, ARG10D, ARG158A, ARG171A, ARG8D, ASP148A, ASP164A, ASP178A, GLN152A, GLN172A, GLU147A, GLU150A, GLU156A, GLU157A, GLU159A, GLU175A, GLY143A, GLY181A, HIS151A, HIS15D, HIS179A, ILE174A, LEU169A, LEU170A, LEU176A, LEU5D, LYS155A, MET11D, MET13D, MET166A, PHE140A, PHE177A, PRO161A, PRO167A, SER144A, SER3D, THR160A, THR162A, THR163A, TRP12D, TRP14D, TRP16D, VAL153A, VAL4D
• B-C: ALA154B, ALA173B, ALA182B, ALA185B, ALA6C, ALA7C, ALA9C, ARG10C, ARG158B, ARG171B, ARG8C, ASP148B, ASP164B, ASP178B, GLN152B, GLN172B, GLU147B, GLU150B, GLU156B, GLU157B, GLU159B, GLU175B, GLY143B, HIS151B, HIS15C, HIS179B, ILE174B, LEU169B, LEU170B, LEU176B, LEU5C, LYS155B, MET11C, MET13C, MET166B, PHE177B, PRO161B, PRO167B, SER144B, SER165B, SER3C, THR160B, THR162B, THR163B, TRP12C, TRP14C, TRP16C, VAL153B, VAL4C
• B-D: ALA118B, ALA130B, ALA133B, ALA136B, ALA56B, ALA83B, ALA89B, ALA97B, ALA9D, ARG104B, ARG10D, ARG49B, ARG87B, ARG8D, ASN115B, ASN82B, ASP53B, GLN109B, GLN116B, GLU107B, GLU114B, GLY102B, GLY138B, HIS100B, HIS139B, HIS15D, HIS64B, HIS66B, ILE57B, LEU101B, LEU113B, LEU117B, LEU120B, LEU127B, LEU131B, LEU134B, LEU142B, LEU5D, LEU60B, LEU79B, LEU90B, MET11D, MET13D, PHE140B, PHE67B, PHE78B, PHE86B, PRO105B, SER135B, SER68B, SER85B, THR103B, THR106B, THR112B, THR141B, TRP12D, TRP14D, TRP16D, TYR110B, TYR132B, VAL137B, VAL99B