3LB5

crystal structure of hit-like protein involved in cell-cycle regulation from bartonella henselae with unknown ligand

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -4.7412
• Hub Node: A(1)

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	-118.0856	-10.7187	-406.954	-535.7583	113	12	13	16663	0	30	11
B-D	0.0	55.6584	-141.401	-85.7426	72	0	0	6504	0	46	53
C-D	-105.8488	-8.6691	-409.211	-523.7289	112	15	11	16613	0	30	10

Interface residues

• A-B: ALA58A, ALA58B, ALA69A, ALA69B, ALA74A, ALA74B, ALA76A, ALA76B, ALA83A, ALA83B, ALA94A, ALA94B, ALA95A, ALA95B, ARG110A, ARG110B, ARG53A, ARG53B, ASN54A, ASN54B, ASN92A, ASN92B, ASP57A, ASP57B, ASP59A, ASP59B, ASP84A, ASP84B, GLN71A, GLN71B, GLN90A, GLN90B, GLN97A, GLN97B, GLN98A, GLN98B, GLU112A, GLU112B, GLU115A, GLU115B, GLU61A, GLU61B, GLU93A, GLU93B, GLY113A, GLY113B, GLY85A, GLY85B, HIS106A, HIS106B, ILE107A, ILE107B, ILE108A, ILE108B, ILE114A, ILE114B, ILE67A, ILE67B, ILE73A, ILE73B, ILE86A, ILE86B, LEU103A, LEU103B, LEU116A, LEU55A, LEU55B, LEU56A, LEU56B, LEU63A, LEU63B, LYS68A, LYS68B, LYS72A, LYS72B, LYS75A, LYS75B, LYS78A, LYS78B, LYS79A, LYS79B, MET111A, MET111B, MET89A, MET89B, PHE105A, PHE105B, PHE64A, PHE64B, PHE91A, PHE91B, PRO109A, PRO109B, PRO65A, PRO65B, SER52A, SER52B, SER96A, SER96B, THR60A, THR60B, THR62A, THR62B, THR87A, THR87B, VAL66A, VAL66B, VAL70A, VAL70B, VAL77A, VAL77B, VAL88A, VAL88B
• B-D: ALA12B, ALA12D, ALA4B, ALA4D, ALA58B, ALA58D, ARG16B, ARG16D, ARG23B, ARG23D, ARG53B, ARG53D, ASN17B, ASN17D, ASN54B, ASN7B, ASN7D, ASN8B, ASN8D, ASN9B, ASN9D, ASP27B, ASP27D, ASP28B, ASP28D, ASP29B, ASP29D, ASP57B, ASP57D, ASP59B, ASP59D, ASP6B, ASP6D, GLN3B, GLU18B, GLU18D, GLU26B, GLU26D, GLU61B, GLU61D, GLY51B, GLY51D, HIS102B, HIS102D, ILE15B, ILE15D, ILE31B, ILE31D, LEU14B, LEU14D, LYS13B, LYS13D, LYS49B, LYS49D, LYS50B, LYS50D, PHE64B, PHE64D, PRO48B, PRO48D, PRO65B, PRO65D, SER52B, SER52D, THR62B, THR62D, TYR5B, TYR5D, VAL30B, VAL30D, VAL66B, VAL66D
• C-D: ALA58C, ALA58D, ALA69C, ALA69D, ALA74C, ALA74D, ALA76C, ALA76D, ALA83C, ALA83D, ALA94C, ALA94D, ALA95C, ALA95D, ARG110C, ARG110D, ARG53C, ARG53D, ASN54C, ASN54D, ASN92C, ASN92D, ASP57C, ASP57D, ASP59C, ASP59D, ASP84C, ASP84D, GLN71C, GLN71D, GLN90C, GLN90D, GLN97C, GLN97D, GLN98C, GLN98D, GLU112C, GLU112D, GLU115C, GLU61C, GLU61D, GLU93C, GLU93D, GLY113C, GLY113D, GLY85C, GLY85D, HIS106C, HIS106D, ILE107C, ILE107D, ILE108C, ILE108D, ILE114C, ILE114D, ILE67C, ILE67D, ILE73C, ILE73D, ILE86C, ILE86D, LEU103C, LEU103D, LEU116C, LEU55C, LEU55D, LEU56C, LEU56D, LEU63C, LEU63D, LYS68C, LYS68D, LYS72C, LYS72D, LYS75C, LYS75D, LYS78C, LYS78D, LYS79C, LYS79D, MET111C, MET111D, MET89C, MET89D, PHE105C, PHE105D, PHE64C, PHE64D, PHE91C, PHE91D, PRO109C, PRO109D, PRO65C, PRO65D, SER52C, SER52D, SER96C, SER96D, THR60C, THR60D, THR62C, THR62D, THR87C, THR87D, VAL66C, VAL66D, VAL70C, VAL70D, VAL77C, VAL77D, VAL88C, VAL88D