3FSW

pseudomonas aeruginosa azurin with mutated metal-binding loop sequence (caaaahaaam)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -2.1877
• 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	36.4423	-59.2628	-22.8205	48	3	0	2660	0	12	14
A-C	-21.7885	0.0	-153.226	-175.0145	80	5	2	6873	0	8	8
A-D	0.0	0.0	-0.9841	-0.9841	10	0	0	152	0	0	0
B-D	0.0	0.0	-31.7281	-31.7281	31	2	0	1420	0	0	1
C-D	-18.474	37.6123	-52.4667	-33.3284	46	3	1	2858	0	16	16

Interface residues

• A-B: ALA53B, ALA54B, ARG79B, ASN10A, ASN16A, ASN32A, ASN38A, ASP11A, ASP55B, ASP6A, ASP93A, CB5.9042879.75271, CYS3A, GLN107B, GLN57B, GLN8A, GLU104B, GLU106B, GLU2A, GLU2A5, GLU91A, GLY105B, GLY37A, GLY58B, GLY88A, GLY90A, HIS35A, ILE7A, ILE87A, LEU127B, LEU33A, LEU39A, LYS103B, LYS128B, LYS24B, LYS92A, MET109B, MET56B, PRO36A, SER34A, SER4A, SER89A, THR124B, THR126B, THR52B, THR61B, TYR108B, VAL5A
• A-C: ALA116A, ALA116C, ALA118A, ALA118C, ALA119A, ALA119C, ALA120A, ALA120C, ALA19A, ALA19C, ALA53A, ALA53C, ALA54A, ALA54C, ASN18A, ASN18C, ASP55A, ASP55C, CYS112A, CYS112C, GLN107A, GLN107C, GLN14A, GLN14C, GLN57A, GLN57C, GLU104A, GLU104C, GLU106A, GLU106C, GLY105A, GLY105C, GLY123A, GLY123C, GLY58A, GLY58C, HIS117A, HIS117C, ILE20A, ILE20C, LEU125A, LEU125C, LEU127A, LEU127C, LYS103C, LYS122A, LYS122C, LYS128A, LYS128C, MET109A, MET109C, MET121A, MET121C, MET13A, MET13C, MET56A, MET56C, MET64A, MET64C, PHE110A, PHE110C, PHE111A, PHE111C, SER51C, THR124A, THR124C, THR126A, THR126C, THR17A, THR17C, THR21A, THR21C, THR52A, THR52C, THR61A, THR61C, TYR108A, TYR108C, VAL60A, VAL60C
• A-D: ALA53D, ASN16A, ASN18A, GLN107D, GLN12A, GLN14A, GLN57D, LYS122D, MET109D, THR124D
• B-D: ALA118B, ALA119B, ALA120B, ALA120D, ALA19B, ASN10B, ASN10D, ASN16B, ASN16D, ASN18B, ASN18D, ASP11D, GLN12B, GLN12D, GLN14B, GLN14D, GLN8B, GLN8D, GLY9D, ILE7B, LYS122B, MET121B, MET121D, MET13B, MET13D, PHE110B, PHE15B, PHE15D, PRO36D, THR17B, THR17D
• C-D: ALA19C, ALA53D, ALA54D, ALA65D, ARG79D, ASN16C, ASN18C, ASN32C, ASP23C, ASP55D, ASP62D, ASP6C, ASP76D, ASP77D, CYS26C, CYS3C, GLN107D, GLN57D, GLN8C, GLU106D, GLU2C, GLY58D, ILE20C, ILE7C, ILE81D, LEU127C, LYS103D, LYS128C, LYS24C, LYS74D, MET56D, PHE29C, SER25C, SER4C, SER78D, THR126C, THR17C, THR21C, THR30C, THR52D, THR61D, TYR108D, VAL22C, VAL59D, VAL5C, VAL80D