1PP8

crystal structure of the t. vaginalis ibp39 initiator binding domain (ibd) bound to the alpha-scs inr element

• Total interactions analyzed: 91
• Total true interactions: 5
• Strongest Interaction:
  • Chains: P-V
  • Int. Res.: 49
  • Norm. En. per Res.: -2.1286
• Hub Node: P(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
U-P	0.0	-10.1328	-0.8158	-10.9486	8	0	0	130	0	4	6
U-M	0.0	-2.9707	-0.3103	-3.281	10	0	0	115	0	5	7
P-V	-12.4217	-5.6928	-86.1871	-104.3016	49	23	0	4769	0	18	11
P-O	0.0	0.0	-36.6881	-36.6881	27	2	0	1389	0	4	6
F-M	0.0	-7.5428	-1.1555	-8.6983	8	0	0	173	0	4	8

Interface residues

• U-P: ARG28U, ASP29U, ASP98P, GLY100P, GLY101P, HIS97P, LYS99P, PRO30U
• U-M: ARG28M, ARG33M, ASP118M, ASP98U, GLY100U, GLY101U, HIS97U, LYS99U, PRO30M, SER27M
• P-V: ALA46P, ALA73V, ARG13P, ARG13V, ASN48P, ASN71V, ASP98V, GLN50P, GLN50V, GLU17P, GLU52P, GLU53P, GLU53V, GLU54P, GLU54V, GLY100V, GLY101V, GLY56V, ILE18P, ILE55V, LEU14P, LEU45P, LEU51P, LEU51V, LEU74V, LEU80V, LYS68V, LYS69V, LYS70V, LYS99V, MET1P, MET67V, PHE10V, PRO15P, PRO16P, PRO49P, SER12P, SER12V, SER47P, SER9P, SER9V, THR103V, THR11V, THR43P, TRP102V, TYR44P, VAL19P, VAL72V, VAL75V
• P-O: ARG107P, ARG13O, ARG36P, ASN113P, ASN48O, ASP118P, GLU117P, GLU17O, GLY109P, ILE18O, LEU14O, LEU51O, LYS106P, PHE10O, PHE110P, PHE116P, PRO15O, PRO16O, SER108P, SER114P, SER12O, SER47O, THR111P, THR11O, TYR44O, VAL115P, VAL19O
• F-M: ARG28F, ASP29F, ASP98M, GLY100M, GLY101M, HIS97M, LYS99M, PRO30F