1NON

pyrr, the regulator of the pyrimidine biosynthetic operon in bacillus caldolyticus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 86
  • Norm. En. per Res.: -4.5504
• 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	-58.7102	-1.6425	-263.959	-324.3117	91	21	3	11285	3	32	45
A-C	0.0	0.0	-6.4168	-6.4168	8	1	0	213	0	4	1
A-D	-27.4593	-72.5203	-125.342	-225.3216	67	4	0	5538	7	44	48
B-C	-18.3479	-78.2926	-124.266	-220.9065	66	8	0	5458	6	40	48
B-D	0.0	0.0	-4.8102	-4.8102	9	0	0	201	0	4	1
C-D	-77.6451	-86.6388	-227.049	-391.3329	86	10	3	9851	5	27	41

Interface residues

• A-B: ALA115A, ALA115B, ALA116A, ALA116B, ALA119A, ALA119B, ALA127A, ALA127B, ALA132A, ALA132B, ALA146A, ALA146B, ARG111A, ARG111B, ARG114A, ARG114B, ARG125A, ARG125B, ARG128A, ARG128B, ARG140A, ARG140B, ARG145A, ARG145B, ARG157A, ARG157B, ARG72A, ARG72B, ARG98A, ARG98B, ASN152A, ASN99A, ASN99B, ASP118A, ASP118B, ASP122A, ASP122B, ASP136A, ASP136B, ASP147A, ASP147B, GLN130A, GLN130B, GLU141A, GLU141B, GLU97A, GLU97B, GLY110A, GLY110B, GLY124A, GLY124B, GLY138A, GLY138B, HIS139A, HIS139B, ILE101A, ILE101B, ILE129A, ILE129B, ILE144A, ILE144B, LEU102A, LEU102B, LEU107A, LEU107B, LEU123A, LEU131A, LEU131B, LEU142A, LEU142B, MET117A, MET117B, MET121A, MET121B, PHE108A, PHE148A, PHE148B, PRO126A, PRO126B, PRO143A, PRO143B, THR109A, THR109B, TYR71B, VAL100A, VAL100B, VAL113A, VAL113B, VAL120A, VAL120B, VAL149A
• A-C: ASN152A, ASN152C, PRO154A, PRO154C, THR155A, THR155C, VAL153A, VAL153C
• A-D: ALA11A, ALA11D, ALA15A, ALA15D, ALA20A, ALA20D, ARG13A, ARG13D, ARG14A, ARG14D, ARG18A, ARG18D, ARG26A, ARG26D, ARG52A, ARG52D, ASN27A, ASN27D, ASP31A, ASP31D, ASP8A, ASP8D, GLN10A, GLN10D, GLN55A, GLN55D, GLU22A, GLU22D, GLU25A, GLU25D, GLU57A, GLU57D, GLY150A, GLY150D, GLY29A, GLY29D, HIS21A, HIS21D, ILE12A, ILE12D, ILE19A, ILE19D, ILE23A, ILE23D, ILE24A, ILE24D, ILE30A, ILE30D, ILE56A, ILE56D, LEU16A, LEU16D, LYS151A, LYS151D, LYS28A, LYS28D, MET7A, MET7D, PHE148A, PHE148D, THR17A, THR17D, VAL149A, VAL149D, VAL5A, VAL6A, VAL6D
• B-C: ALA11B, ALA11C, ALA15B, ALA15C, ALA20B, ALA20C, ARG13B, ARG13C, ARG14B, ARG14C, ARG18B, ARG18C, ARG26B, ARG26C, ARG52B, ARG52C, ASN27B, ASN27C, ASP31B, ASP31C, ASP8B, ASP8C, GLN10B, GLN10C, GLU22B, GLU22C, GLU25B, GLU25C, GLU57B, GLU57C, GLY150B, GLY150C, GLY29B, GLY29C, HIS21B, HIS21C, ILE12B, ILE12C, ILE19B, ILE19C, ILE23B, ILE23C, ILE24B, ILE24C, ILE30B, ILE30C, ILE56B, ILE56C, LEU134B, LEU16B, LEU16C, LYS151B, LYS151C, LYS28B, LYS28C, MET7B, MET7C, PHE148B, PHE148C, THR17B, THR17C, VAL149B, VAL149C, VAL5B, VAL6B, VAL6C
• B-D: ASN152D, LYS3B, LYS3D, PRO154B, PRO154D, THR155B, THR155D, VAL153B, VAL153D
• C-D: ALA115C, ALA115D, ALA116C, ALA116D, ALA119C, ALA119D, ALA127C, ALA127D, ALA132C, ALA132D, ALA146C, ALA146D, ARG111C, ARG111D, ARG114C, ARG114D, ARG125C, ARG125D, ARG128C, ARG128D, ARG140C, ARG140D, ARG145C, ARG145D, ARG157C, ARG157D, ARG26C, ARG26D, ARG72C, ARG98C, ARG98D, ASN99C, ASN99D, ASP118C, ASP118D, ASP122C, ASP122D, ASP147C, ASP147D, GLN130C, GLN130D, GLU141C, GLU141D, GLU97C, GLU97D, GLY110C, GLY110D, GLY124C, HIS139C, HIS139D, ILE101C, ILE101D, ILE129C, ILE129D, ILE144C, ILE144D, LEU102C, LEU102D, LEU107C, LEU107D, LEU131C, LEU131D, LEU142C, LEU142D, MET117C, MET117D, MET121C, MET121D, PHE108D, PHE148C, PHE148D, PRO126C, PRO126D, PRO143C, PRO143D, THR109C, THR109D, TYR71C, TYR71D, VAL100C, VAL100D, VAL113C, VAL113D, VAL120C, VAL120D, VAL133D