5AZU

crystal structure analysis of oxidized pseudomonas aeruginosa azurin at ph 5.5 and ph 9.0. a ph-induced conformational transition involves a peptide bond flip

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 44
  • Norm. En. per Res.: -1.8485
• 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	-15.7466	0.0	-48.5681	-64.3147	43	1	3	2771	0	1	5
A-C	-2.4553	0.0	-104.909	-107.3643	64	2	2	5642	0	2	3
A-D	-14.2817	0.0	-67.0514	-81.3331	44	2	1	3148	0	2	0
B-C	-6.7914	0.0	-60.8317	-67.6231	44	1	0	2709	0	2	1
B-D	-6.2493	0.0	-96.7502	-102.9995	57	2	1	5067	0	2	3
C-D	-9.1732	0.0	-57.5067	-66.6799	51	2	3	2942	0	1	6

Interface residues

• A-B: ALA119A, ALA119B, ALA53A, ALA53B, ALA54A, ALA54B, ALA65A, ARG79A, ASP55A, ASP55B, ASP62A, GLN107A, GLN107B, GLN57A, GLN57B, GLY116A, GLY116B, GLY123B, GLY58A, GLY58B, GLY63A, LEU120A, LEU120B, LYS122A, LYS122B, LYS74A, MET109A, MET109B, MET56A, MET56B, MET64A, PHE111B, SER118A, SER118B, THR124A, THR124B, THR52A, THR52B, THR61A, THR61B, TYR108B, VAL59A, VAL60A
• A-C: ALA119A, ALA119C, ALA65A, ALA65C, ASN38A, ASN38C, ASN42A, ASN42C, ASP11A, ASP11C, ASP69A, GLN12A, GLN12C, GLN14A, GLN14C, GLN57A, GLN57C, GLY116A, GLY116C, GLY45A, GLY45C, GLY63A, GLY63C, GLY67A, GLY67C, HIS117A, HIS117C, HIS46A, HIS46C, LEU120A, LEU120C, LEU39A, LEU39C, LEU68A, LEU68C, LEU86A, LEU86C, LYS41A, LYS41C, MET121A, MET121C, MET13A, MET13C, MET44A, MET44C, MET64A, MET64C, PHE114A, PHE114C, PRO115A, PRO115C, PRO40A, PRO40C, SER118A, SER118C, SER66A, THR61A, THR61C, TYR72A, TYR72C, VAL43A, VAL43C, VAL60A, VAL60C
• A-D: ALA119A, ALA119D, ALA19A, ALA19D, ALA53A, ASN10A, ASN10D, ASN16A, ASN16D, ASN18A, ASN18D, GLN12A, GLN12D, GLN14A, GLN14D, GLN8A, GLN8D, GLY123A, GLY123D, GLY9A, GLY9D, HIS117D, ILE7D, LEU120A, LEU120D, LYS122A, LYS122D, MET109A, MET109D, MET121A, MET121D, MET13A, MET13D, MET56A, PHE110A, PHE110D, PHE15A, PHE15D, SER118A, SER118D, THR124A, THR124D, THR17A, THR17D
• B-C: ALA119B, ALA119C, ALA19B, ALA19C, ASN10B, ASN10C, ASN16B, ASN16C, ASN18B, ASN18C, ASN38C, ASP11B, ASP11C, GLN12B, GLN12C, GLN14B, GLN14C, GLN8B, GLN8C, GLY123B, GLY123C, GLY37C, HIS117B, LEU120B, LEU120C, LYS122B, LYS122C, LYS128B, MET109B, MET109C, MET121B, MET121C, MET13B, MET13C, PHE110B, PHE15B, PHE15C, PRO36B, PRO36C, SER118B, THR124B, THR124C, THR17B, THR17C
• B-D: ALA119B, ALA119D, ALA65B, ALA65D, ASN10B, ASN38B, ASN38D, ASN42B, ASN42D, ASP11B, ASP11D, GLN12B, GLN12D, GLN14B, GLN57B, GLN57D, GLY116B, GLY116D, GLY45B, GLY45D, GLY63D, GLY67B, GLY67D, HIS117B, HIS117D, HIS46D, LEU120B, LEU120D, LEU39B, LEU39D, LEU68B, LEU68D, LEU86D, LYS41B, LYS41D, MET121B, MET13B, MET13D, MET44B, MET44D, MET64B, MET64D, PHE114B, PHE114D, PRO115B, PRO115D, PRO40B, PRO40D, SER118B, SER118D, THR61D, TYR72B, TYR72D, VAL43B, VAL43D, VAL60B, VAL60D
• C-D: ALA119C, ALA119D, ALA19C, ALA53C, ALA53D, ALA54C, ALA54D, ALA65D, ARG79D, ASN18C, ASP55C, ASP55D, ASP62D, GLN107C, GLN107D, GLN57C, GLN57D, GLY116C, GLY116D, GLY123C, GLY58C, GLY58D, GLY63D, HIS117D, LEU120C, LEU120D, LEU125C, LYS122C, LYS122D, LYS74D, MET109C, MET109D, MET121C, MET13C, MET56C, MET56D, MET64D, PHE110C, PHE111C, SER118C, SER118D, THR124C, THR124D, THR52C, THR52D, THR61C, THR61D, TYR108C, VAL59D, VAL60C, VAL60D