3QQ2

crystal structure of the beta domain of the bordetella autotransporter brka

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 113
  • Norm. En. per Res.: -4.7464
• 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	-17.6497	-58.3437	-267.889	-343.8824	94	13	17	10716	4	19	17
B-C	-84.996	-112.7215	-338.623	-536.3405	113	24	22	14663	6	27	40

Interface residues

• A-B: ALA882A, ALA882B, ALA938A, ALA938B, ALA972A, ALA972B, ALA992A, ALA992B, ARG763B, ARG917A, ARG917B, ARG921A, ARG921B, ARG924A, ARG924B, ARG939A, ARG939B, ARG964B, ARG967A, ARG967B, ARG995A, ARG995B, ASN878A, ASN878B, ASP879A, ASP879B, ASP994A, ASP994B, GLN885A, GLN885B, GLN944A, GLN944B, GLU883A, GLU883B, GLU945A, GLU945B, GLU969A, GLU969B, GLY916A, GLY916B, GLY919A, GLY919B, GLY923A, GLY923B, GLY941A, GLY941B, GLY963B, GLY966A, GLY966B, GLY971A, GLY971B, GLY993A, GLY993B, HIS965B, ILE926A, ILE926B, ILE996A, ILE996B, LEU876A, LEU876B, LEU918A, LEU918B, LEU920A, LEU920B, LEU940A, LEU940B, LEU970A, LEU970B, PHE874A, PHE874B, PHE881A, PHE881B, PHE922A, PHE922B, PHE946A, PHE946B, PRO877A, PRO877B, PRO884A, PRO884B, PRO936A, PRO936B, THR943A, THR943B, TRP880A, TRP880B, TRP942A, TRP942B, TYR937A, TYR937B, TYR990A, TYR990B, VAL968A, VAL968B
• B-C: ALA767B, ALA767C, ALA848B, ALA848C, ALA857B, ALA857C, ALA900B, ALA900C, ALA910B, ALA910C, ALA913B, ARG763B, ARG803B, ARG803C, ARG854B, ARG854C, ARG860B, ARG860C, ARG897B, ARG897C, ARG899B, ARG899C, ARG905B, ARG905C, ASN762B, ASN762C, ASN846B, ASN846C, ASN902B, ASN902C, ASN911B, ASN911C, ASP808B, ASP808C, ASP842C, ASP851B, ASP851C, ASP858B, ASP858C, ASP909B, ASP909C, GLN758C, GLN770B, GLN770C, GLN843B, GLN843C, GLN844B, GLN844C, GLU945B, GLU945C, GLY810B, GLY810C, GLY811B, GLY811C, GLY849B, GLY849C, GLY852B, GLY852C, GLY853B, GLY853C, GLY895B, GLY895C, GLY903B, GLY903C, ILE760B, ILE760C, ILE847B, ILE847C, LEU904B, LEU904C, LYS896B, LYS896C, LYS907B, LYS907C, LYS947B, LYS947C, PRO806C, SER761B, SER761C, SER894C, SER901B, SER901C, THR850B, THR850C, THR856B, THR856C, THR861B, THR861C, THR893B, THR893C, THR912B, THR949B, THR949C, TRP891B, TRP891C, TYR768B, TYR768C, TYR805B, TYR805C, TYR845B, TYR845C, TYR859B, TYR859C, TYR898B, TYR898C, VAL813B, VAL813C, VAL855B, VAL855C, VAL906B, VAL906C, VAL908B, VAL908C