1AZN

crystal structure of the azurin mutant phe114ala from pseudomonas aeruginosa at 2.6 angstroms resolution

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 45
  • Norm. En. per Res.: -1.7832
• 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	0.0	2.1204	-82.3626	-80.2422	45	8	5	4060	0	2	2
A-C	-10.2925	-2.7998	-58.3596	-71.4519	52	2	0	2786	0	4	2
A-D	0.0	0.0	-0.0201	-0.0201	2	0	0	11	0	0	0
B-C	0.0	4.0717	-12.6367	-8.565	25	2	0	716	0	1	1
C-D	0.0	0.0	-63.5022	-63.5022	47	1	3	3653	0	4	1

Interface residues

• A-B: ALA114A, ALA114B, ALA119A, ALA119B, ALA65A, ASN10B, ASN42A, ASN42B, ASP11A, ASP11B, GLN12A, GLN12B, GLN14A, GLN14B, GLY116A, GLY116B, GLY45A, GLY45B, HIS117A, HIS117B, HIS46B, LEU120A, LEU120B, LEU39A, LEU39B, LYS122A, LYS122B, LYS41B, MET121A, MET121B, MET13A, MET13B, MET44A, MET44B, MET64A, MET64B, PRO115A, PRO115B, PRO40A, PRO40B, SER118A, SER118B, TYR72B, VAL43A, VAL43B
• A-C: ALA19A, ALA19C, ALA1A, ALA1C, ASN10A, ASN10C, ASN16A, ASN16C, ASN18A, ASN18C, ASN32C, ASN38A, ASP11A, ASP23C, ASP6A, ASP6C, CYS3C, GLN12A, GLN12C, GLN14A, GLN14C, GLN8A, GLN8C, GLU2C, GLY37A, GLY90A, HIS35A, ILE20A, ILE20C, ILE7A, ILE7C, LEU120A, LEU39A, LYS128C, LYS92C, PHE110C, PHE15A, PHE15C, PRO36A, PRO36C, SER34A, SER34C, SER4A, SER4C, THR124C, THR126C, THR17A, THR17C, THR21A, THR21C, VAL5A, VAL5C
• A-D: ASN38A, GLN12D
• B-C: ALA19B, ASN10B, ASN10C, ASN16B, ASN16C, ASN18B, ASN32C, ASN38C, ASP11B, ASP6C, GLN12B, GLN14B, GLN8B, GLN8C, GLY37C, GLY90C, HIS35C, ILE7C, LEU120B, LYS92C, MET13B, PHE15B, PRO36C, SER34C, THR17B
• C-D: ALA114C, ALA114D, ALA119C, ALA119D, ALA65C, ASN10C, ASN10D, ASN42C, ASN42D, ASP11C, ASP11D, GLN12C, GLN12D, GLN14C, GLN14D, GLN57D, GLY116C, GLY116D, GLY45C, HIS117C, HIS117D, HIS46C, HIS46D, LEU120C, LEU120D, LEU39C, LEU39D, LYS122C, LYS122D, MET121C, MET121D, MET13C, MET13D, MET44C, MET44D, MET64C, MET64D, PRO115C, PRO115D, PRO40C, PRO40D, SER118C, SER118D, TYR72C, TYR72D, VAL43C, VAL43D