3QZE

crystal structure of dapa (pa1010) at 1.6 a resolution

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 151
  • Norm. En. per Res.: -2.985
• Hub Node: A(2)

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	-7.0555	15.8795	-438.925	-430.101	150	7	6	17363	8	26	31
A-D	0.0	0.0	-0.2843	-0.2843	4	0	0	50	0	6	2
C-D	-25.1083	9.767	-435.391	-450.7323	151	7	6	17213	8	26	31

Interface residues

• A-B: ALA49A, ALA49B, ALA79A, ALA79B, ALA85A, ALA85B, ARG120A, ARG120B, ARG138A, ARG138B, ARG18A, ARG18B, ARG267A, ARG267B, ARG276B, ARG83A, ARG83B, ASN108A, ASN108B, ASN248A, ASN248B, ASN80A, ASN80B, ASP52A, ASP52B, CYS141A, CYS141B, CYS277A, CYS277B, GLN112A, GLN112B, GLN117A, GLN117B, GLU113A, GLU113B, GLU246A, GLU246B, GLU47A, GLU47B, GLU54A, GLU54B, GLU55A, GLU55B, GLU84A, GLU84B, GLY114A, GLY114B, GLY137A, GLY137B, GLY17A, GLY17B, GLY43A, GLY43B, GLY76B, GLY78A, GLY78B, HIS118A, HIS118B, HIS121A, HIS121B, HIS56A, HIS56B, ILE122A, ILE122B, ILE245A, ILE245B, ILE250A, ILE250B, LEU101A, LEU101B, LEU102A, LEU102B, LEU19A, LEU19B, LEU268A, LEU268B, LEU270A, LEU270B, LEU273A, LEU273B, LEU51A, LEU51B, LYS109A, LYS109B, LYS161A, LYS161B, MET115A, MET115B, PHE119A, PHE119B, PHE13A, PHE13B, PHE244A, PHE244B, PRO105A, PRO105B, PRO110A, PRO110B, PRO136A, PRO136B, PRO249A, PRO249B, PRO251A, PRO251B, PRO269A, PRO269B, PRO275B, SER140A, SER140B, SER247A, SER247B, SER274A, SER274B, SER48A, SER48B, SER81A, SER81B, THR104A, THR104B, THR111A, THR111B, THR139A, THR139B, THR271A, THR271B, THR44A, THR44B, THR45A, THR45B, THR50A, THR50B, THR82A, THR82B, TRP272A, TRP272B, TYR106A, TYR106B, TYR107A, TYR107B, TYR116A, TYR116B, TYR133A, TYR133B, VAL103A, VAL103B, VAL135A, VAL135B, VAL42B, VAL53A, VAL53B
• A-D: ARG70A, GLN33D, GLY69A, LYS68A
• C-D: ALA49C, ALA49D, ALA79C, ALA79D, ALA85C, ALA85D, ARG120C, ARG120D, ARG138C, ARG138D, ARG18C, ARG18D, ARG267C, ARG267D, ARG276C, ARG83C, ARG83D, ASN108C, ASN108D, ASN134C, ASN134D, ASN248C, ASN248D, ASN80C, ASN80D, ASP52C, ASP52D, CYS141C, CYS141D, CYS277D, GLN112C, GLN112D, GLN117C, GLN117D, GLU113C, GLU113D, GLU246C, GLU246D, GLU47C, GLU47D, GLU54C, GLU54D, GLU55C, GLU55D, GLU84C, GLU84D, GLY114C, GLY114D, GLY137C, GLY137D, GLY17C, GLY17D, GLY43C, GLY43D, GLY76D, GLY78C, GLY78D, HIS118C, HIS118D, HIS121C, HIS121D, HIS56C, HIS56D, ILE122C, ILE122D, ILE245C, ILE245D, ILE250C, ILE250D, LEU101C, LEU101D, LEU102D, LEU19C, LEU19D, LEU268C, LEU268D, LEU270C, LEU270D, LEU273C, LEU273D, LEU51C, LEU51D, LYS109C, LYS109D, LYS161C, LYS161D, MET115C, MET115D, PHE119C, PHE119D, PHE13C, PHE13D, PHE244C, PHE244D, PRO105C, PRO105D, PRO110C, PRO110D, PRO136C, PRO136D, PRO249C, PRO249D, PRO251C, PRO251D, PRO269C, PRO269D, PRO275C, PRO275D, SER140C, SER140D, SER247C, SER247D, SER274C, SER274D, SER48C, SER48D, SER81C, SER81D, THR104C, THR104D, THR111C, THR111D, THR139C, THR139D, THR271C, THR271D, THR44C, THR44D, THR45C, THR45D, THR50C, THR50D, THR82C, THR82D, TRP272C, TRP272D, TYR106C, TYR106D, TYR107C, TYR107D, TYR116C, TYR116D, TYR133C, TYR133D, VAL103C, VAL103D, VAL135C, VAL135D, VAL42D, VAL53C, VAL53D