2HR3

crystal structure of putative transcriptional regulator protein from pseudomonas aeruginosa pa01 at 2.4 a resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 189
  • Norm. En. per Res.: -4.9102
• 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	-53.7602	-122.4651	-751.799	-928.0243	189	22	45	31831	19	60	85
A-C	0.0	-6.7432	-4.0691	-10.8123	14	0	0	287	0	3	5
A-D	0.0	-15.0364	-33.0977	-48.1341	31	0	1	1455	0	17	26
B-D	-4.969	0.0	-23.7914	-28.7604	21	0	0	1100	0	3	5
C-D	-53.9866	-161.7349	-685.854	-901.5755	190	34	42	31493	14	52	86

Interface residues

• A-B: ALA109A, ALA109B, ALA10A, ALA10B, ALA118A, ALA118B, ALA11A, ALA11B, ALA121A, ALA121B, ALA129A, ALA129B, ALA132A, ALA132B, ALA133A, ALA133B, ALA134A, ALA134B, ALA142A, ALA142B, ALA28A, ALA28B, ALA30A, ALA30B, ALA43A, ALA43B, ALA57A, ALA57B, ALA58A, ALA58B, ALA59A, ALA59B, ALA69A, ALA69B, ARG108A, ARG108B, ARG111A, ARG111B, ARG117A, ARG117B, ARG128A, ARG128B, ARG140A, ARG140B, ARG14A, ARG14B, ARG22A, ARG22B, ARG23A, ARG23B, ARG25A, ARG25B, ARG26A, ARG26B, ARG46A, ARG46B, ARG61A, ARG61B, ARG63A, ARG63B, ARG72A, ASN107A, ASN107B, ASN4A, ASN66A, ASN66B, ASP124A, ASP124B, ASP31A, ASP31B, ASP45A, ASP6A, ASP6B, CYS122A, CYS122B, GLN143A, GLN143B, GLN16A, GLN16B, GLN29B, GLN34A, GLN34B, GLN37A, GLN37B, GLN5A, GLN5B, GLN8A, GLN8B, GLU112A, GLU112B, GLU113A, GLU113B, GLU125A, GLU125B, GLU127A, GLU127B, GLU145A, GLU145B, GLU146A, GLU27A, GLU27B, GLU60A, GLU60B, GLU73A, GLU73B, GLY135A, GLY135B, GLY42A, GLY42B, HIS120A, HIS120B, HIS12A, HIS12B, LEU104A, LEU104B, LEU115A, LEU115B, LEU123A, LEU123B, LEU130A, LEU130B, LEU131A, LEU131B, LEU137A, LEU137B, LEU138A, LEU138B, LEU13A, LEU13B, LEU141A, LEU141B, LEU20A, LEU20B, LEU24A, LEU24B, LEU38A, LEU47A, LEU70A, LEU70B, LEU74A, LEU74B, LEU7A, LEU7B, LEU9A, LEU9B, LYS110A, LYS110B, PHE144A, PHE144B, PHE35A, PHE35B, PRO136A, PRO136B, PRO2A, PRO32A, PRO32B, SER126A, SER126B, SER15A, SER15B, SER36A, SER36B, SER64A, SER64B, SER65A, SER65B, THR139A, THR139B, THR18A, THR18B, THR19A, THR19B, THR21A, THR21B, THR3A, THR3B, TRP114A, TRP114B, TYR105A, TYR105B, VAL116A, VAL116B, VAL17A, VAL17B, VAL33A, VAL33B, VAL39A, VAL39B, VAL40A
• A-C: ALA11C, ARG102A, ARG14C, ASN103A, GLN34A, GLN5C, GLN8C, GLU99A, GLY77A, GLY78A, HIS12C, LEU79A, SER15C, SER98A
• A-D: ALA109A, ALA109D, ARG101A, ARG101D, ARG102A, ARG102D, ARG108A, ARG108D, ARG46D, ASN103A, ASP45A, ASP45D, GLU112A, GLU112D, GLU113A, GLU99A, GLY100A, GLY106A, GLY106D, GLY48A, GLY48D, LEU104A, LEU104D, LEU96A, LEU96D, SER97A, SER98A, SER98D, TYR105A, TYR105D, VAL116A
• B-D: ALA10B, ALA11B, ARG101D, ARG102D, ARG14B, ASN103D, ASN4B, ASP6B, GLN5B, GLN8B, GLU99D, GLY77D, GLY78D, HIS12B, LEU79D, LEU7B, LEU9B, SER15B, SER97D, SER98D, THR3B
• C-D: ALA109C, ALA109D, ALA10C, ALA10D, ALA118C, ALA118D, ALA11C, ALA11D, ALA121C, ALA121D, ALA129C, ALA129D, ALA132C, ALA132D, ALA133C, ALA133D, ALA134C, ALA134D, ALA142C, ALA142D, ALA28C, ALA28D, ALA30C, ALA30D, ALA43C, ALA43D, ALA57C, ALA57D, ALA58C, ALA58D, ALA59C, ALA59D, ALA68C, ALA69C, ALA69D, ARG108C, ARG108D, ARG111C, ARG111D, ARG117C, ARG117D, ARG128C, ARG128D, ARG140C, ARG140D, ARG14C, ARG14D, ARG22C, ARG22D, ARG23C, ARG23D, ARG25C, ARG25D, ARG26C, ARG26D, ARG46C, ARG46D, ARG61C, ARG61D, ARG63C, ARG63D, ASN107C, ASN107D, ASN4C, ASN4D, ASN66C, ASN66D, ASP124C, ASP124D, ASP31C, ASP31D, ASP6C, ASP6D, CYS122C, CYS122D, GLN143C, GLN143D, GLN16C, GLN16D, GLN29C, GLN29D, GLN34C, GLN34D, GLN37C, GLN37D, GLN5C, GLN5D, GLN8C, GLN8D, GLU112C, GLU112D, GLU113C, GLU113D, GLU127C, GLU127D, GLU145C, GLU145D, GLU27C, GLU27D, GLU60C, GLU60D, GLU73D, GLY135C, GLY135D, GLY42C, GLY42D, HIS120C, HIS120D, HIS12C, HIS12D, LEU104C, LEU104D, LEU115C, LEU115D, LEU123C, LEU123D, LEU130C, LEU130D, LEU131C, LEU131D, LEU137C, LEU137D, LEU138C, LEU138D, LEU13C, LEU13D, LEU141C, LEU141D, LEU20C, LEU20D, LEU24C, LEU24D, LEU38C, LEU38D, LEU47C, LEU47D, LEU56C, LEU56D, LEU67C, LEU67D, LEU70C, LEU70D, LEU7C, LEU7D, LEU9C, LEU9D, LYS110C, LYS110D, PHE144C, PHE144D, PHE35C, PHE35D, PRO136C, PRO136D, PRO2D, PRO32C, PRO32D, SER126C, SER126D, SER15C, SER15D, SER36C, SER36D, SER64D, SER65C, SER65D, THR139C, THR139D, THR18C, THR18D, THR19C, THR19D, THR21C, THR21D, THR3C, THR3D, TRP114C, TRP114D, TYR105C, TYR105D, VAL116C, VAL116D, VAL17C, VAL17D, VAL33C, VAL33D, VAL39C, VAL39D, VAL40C, VAL40D