1XQ4

crystal structure of the putative apaa protein from bordetella pertussis, northeast structural genomics target ber40

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 55
  • Norm. En. per Res.: -3.2054
• 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	0.0	-0.5693	-0.5693	10	0	0	77	0	0	0
A-C	-62.884	26.4702	-142.062	-178.4758	57	17	4	5310	0	6	5
A-D	-25.3426	0.0	-150.956	-176.2986	55	2	5	6789	0	10	5
B-C	-12.8575	0.0	-141.352	-154.2095	57	2	5	6601	0	10	5
B-D	-51.2542	29.7269	-136.205	-157.7323	53	9	4	5080	0	6	5

Interface residues

• A-B: GLN50A, GLN50B, GLN76A, GLN76B, GLN77A, GLN77B, GLY75A, GLY75B, LEU71A, LEU71B
• A-C: ALA36A, ALA49C, ALA81A, ALA81C, ARG20A, ARG40A, ARG40C, ARG54A, ASN43C, GLN25A, GLN50A, GLN50C, GLN76A, GLN76C, GLN77A, GLN77C, GLU84A, GLU84C, GLU87A, GLU87C, GLY72C, GLY75A, GLY75C, GLY83C, GLY91A, ILE41C, ILE52C, LEU79A, LEU79C, LEU80A, LEU80C, PHE86A, PHE86C, PRO48C, PRO78A, PRO78C, PRO82C, SER90A, THR38A, THR38C, THR42C, THR85A, THR85C, THR89A, THR89C, TYR37A, TYR88A, TYR88C, VAL34A, VAL39A, VAL39C, VAL51A, VAL51C, VAL73A, VAL73C, VAL74A, VAL74C
• A-D: ALA49A, ALA49D, ARG54A, ARG54D, ARG69A, ARG69D, ASN111A, ASN111D, CYS107A, CYS107D, GLN50A, GLN50D, GLN77A, GLN77D, GLU110A, GLU110D, GLU116A, GLU116D, GLY109A, GLY109D, GLY112A, GLY112D, GLY70A, GLY70D, GLY72A, GLY72D, HIS106A, HIS106D, HIS55A, HIS55D, ILE113A, ILE113D, ILE52A, ILE52D, LEU71A, LEU71D, LEU79A, LEU79D, PHE115A, PHE115D, PRO114A, PRO114D, PRO48A, PRO48D, PRO78A, SER53A, SER53D, TYR11A, TYR11D, VAL108A, VAL108D, VAL51A, VAL51D, VAL68A, VAL68D
• B-C: ALA49B, ALA49C, ARG54B, ARG54C, ARG69B, ARG69C, ASN111B, ASN111C, CYS107B, CYS107C, GLN50B, GLN50C, GLN77B, GLN77C, GLU110B, GLU110C, GLU116B, GLU116C, GLY109B, GLY109C, GLY112B, GLY112C, GLY70B, GLY70C, GLY72B, GLY72C, HIS106B, HIS106C, HIS55B, HIS55C, ILE113B, ILE113C, ILE52B, ILE52C, LEU71B, LEU71C, LEU79B, LEU79C, LEU80B, PHE115B, PHE115C, PRO114B, PRO114C, PRO48B, PRO48C, PRO78B, PRO78C, SER53B, SER53C, TYR11B, TYR11C, VAL108B, VAL108C, VAL51B, VAL51C, VAL68B, VAL68C
• B-D: ALA36B, ALA49D, ALA81D, ARG20B, ARG40B, ARG40D, ARG54B, ASN43D, GLN25B, GLN50D, GLN76B, GLN76D, GLN77B, GLN77D, GLU84B, GLU84D, GLU87B, GLU87D, GLY72D, GLY75B, GLY75D, GLY83D, GLY91B, ILE41D, ILE52D, LEU79B, LEU79D, LEU80B, LEU80D, PHE86B, PHE86D, PRO78B, PRO78D, PRO82D, SER90B, THR38B, THR38D, THR42D, THR85B, THR85D, THR89B, THR89D, TYR37B, TYR88B, TYR88D, VAL39B, VAL39D, VAL51B, VAL51D, VAL73B, VAL73D, VAL74B, VAL74D