3D9X

structure of the head of the bartonella adhesin bada

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 190
  • Norm. En. per Res.: -5.9603
• 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	-315.1705	-3.1198	-832.456	-1150.7463	196	43	37	31169	1	35	31
A-C	-319.0159	-5.8434	-813.873	-1138.7323	198	47	41	30459	4	36	31
B-C	-346.1164	0.8478	-787.196	-1132.4646	190	47	36	30383	2	32	31

Interface residues

• A-B: ALA404A, ALA404B, ALA430A, ALA430B, ALA453B, ALA460A, ALA465A, ALA465B, ALA474A, ALA474B, ALA479B, ALA482A, ALA482B, ARG431A, ARG431B, ASN388A, ASN388B, ASN392A, ASN392B, ASN393A, ASN393B, ASN395B, ASN396B, ASN413A, ASN413B, ASN423A, ASN423B, ASN424A, ASN424B, ASN446A, ASN446B, ASN454B, ASN464A, ASN464B, ASN480A, ASN480B, ASN484A, ASN484B, ASP394B, ASP406A, ASP406B, ASP419A, ASP428A, ASP428B, ASP432A, ASP432B, ASP441A, ASP441B, ASP478B, ASP481A, ASP481B, GLN457A, GLN457B, GLN468A, GLN468B, GLN487A, GLN487B, GLN498A, GLU447A, GLU447B, GLU475A, GLU475B, GLU492A, GLU492B, GLU494A, GLU494B, GLU497A, GLY385A, GLY385B, GLY386A, GLY386B, GLY402A, GLY403A, GLY403B, GLY410A, GLY410B, GLY420A, GLY442B, GLY449A, GLY455B, GLY462A, GLY466A, GLY466B, GLY472A, GLY472B, GLY476B, GLY486A, GLY486B, ILE416A, ILE416B, ILE438A, ILE438B, ILE452B, ILE458A, ILE458B, ILE463A, ILE463B, ILE470A, ILE470B, ILE491A, ILE491B, LEU389A, LEU389B, LEU405A, LEU405B, LEU407A, LEU407B, LEU414A, LEU414B, LEU433A, LEU433B, LEU435A, LEU435B, LEU440A, LEU440B, LEU445A, LEU445B, LEU450A, LEU450B, LEU488A, LEU488B, LYS412A, LYS412B, LYS415A, LYS415B, LYS418A, LYS421A, LYS422A, LYS436A, LYS436B, LYS439A, LYS439B, LYS469A, LYS469B, LYS489A, LYS489B, LYS490A, LYS490B, LYS496A, PHE427A, PHE427B, PHE451A, PHE451B, PHE485A, PHE485B, PRO456A, PRO456B, SER400A, SER400B, SER401A, SER401B, SER408A, SER408B, SER409A, SER409B, SER411A, SER411B, SER437A, SER437B, SER461A, SER467A, SER467B, THR390A, THR390B, THR397B, THR426A, THR426B, THR434A, THR434B, THR444A, THR444B, THR448A, THR459A, THR471A, THR471B, THR477B, THR493A, TRP387A, TRP387B, VAL391A, VAL391B, VAL398B, VAL399A, VAL399B, VAL417A, VAL425A, VAL425B, VAL429A, VAL429B, VAL443B, VAL473A, VAL473B, VAL483A, VAL483B, VAL495A, VAL495B
• A-C: ALA404A, ALA404C, ALA430A, ALA430C, ALA453A, ALA460C, ALA465A, ALA465C, ALA474A, ALA474C, ALA479A, ALA482A, ALA482C, ARG431A, ARG431C, ASN388A, ASN388C, ASN392A, ASN392C, ASN393A, ASN395A, ASN396A, ASN413A, ASN413C, ASN423A, ASN423C, ASN424A, ASN424C, ASN446A, ASN446C, ASN454A, ASN464A, ASN464C, ASN480A, ASN480C, ASN484A, ASN484C, ASP394A, ASP406A, ASP406C, ASP419C, ASP428A, ASP428C, ASP432A, ASP432C, ASP441A, ASP441C, ASP478A, ASP481A, ASP481C, GLN457A, GLN457C, GLN468A, GLN468C, GLN487A, GLN487C, GLN498A, GLN498C, GLU447A, GLU447C, GLU475A, GLU475C, GLU492A, GLU492C, GLU494A, GLU494C, GLU497A, GLU497C, GLY385A, GLY385C, GLY386A, GLY386C, GLY402C, GLY403A, GLY403C, GLY410A, GLY410C, GLY420C, GLY442A, GLY449C, GLY455A, GLY462C, GLY466A, GLY466C, GLY472A, GLY472C, GLY476A, GLY486A, GLY486C, ILE416A, ILE416C, ILE438A, ILE438C, ILE452A, ILE458A, ILE458C, ILE463A, ILE463C, ILE470A, ILE470C, ILE491A, ILE491C, LEU389A, LEU389C, LEU405A, LEU405C, LEU407A, LEU407C, LEU414A, LEU414C, LEU433A, LEU433C, LEU435A, LEU435C, LEU440A, LEU440C, LEU445A, LEU445C, LEU450A, LEU450C, LEU488A, LEU488C, LYS412A, LYS412C, LYS415A, LYS415C, LYS418C, LYS421C, LYS422C, LYS436A, LYS436C, LYS439A, LYS439C, LYS469A, LYS469C, LYS489A, LYS489C, LYS490A, LYS490C, LYS496A, LYS496C, PHE427A, PHE427C, PHE451A, PHE451C, PHE485A, PHE485C, PRO456A, PRO456C, SER400A, SER400C, SER401A, SER401C, SER408A, SER408C, SER409A, SER409C, SER411A, SER411C, SER437A, SER437C, SER461C, SER467A, SER467C, THR390A, THR390C, THR397A, THR426A, THR426C, THR434A, THR434C, THR444A, THR444C, THR448C, THR459C, THR471A, THR471C, THR477A, THR493C, TRP387A, TRP387C, VAL391A, VAL391C, VAL398A, VAL399A, VAL399C, VAL417C, VAL425A, VAL425C, VAL429A, VAL429C, VAL443A, VAL473A, VAL473C, VAL483A, VAL483C, VAL495A, VAL495C
• B-C: ALA404B, ALA404C, ALA430B, ALA430C, ALA453C, ALA460B, ALA465B, ALA465C, ALA474B, ALA474C, ALA479C, ALA482B, ALA482C, ARG431B, ARG431C, ASN388B, ASN388C, ASN392B, ASN392C, ASN393B, ASN393C, ASN395C, ASN396C, ASN413B, ASN413C, ASN423B, ASN423C, ASN424B, ASN424C, ASN446B, ASN446C, ASN454C, ASN464B, ASN464C, ASN480B, ASN480C, ASN484B, ASN484C, ASP394C, ASP406B, ASP406C, ASP419B, ASP428B, ASP428C, ASP432B, ASP432C, ASP441C, ASP478C, ASP481B, ASP481C, GLN457B, GLN457C, GLN468B, GLN468C, GLN487B, GLN487C, GLN498C, GLU447B, GLU447C, GLU475B, GLU475C, GLU492B, GLU492C, GLU494C, GLY385B, GLY385C, GLY386B, GLY386C, GLY402B, GLY403B, GLY403C, GLY410B, GLY410C, GLY420B, GLY442C, GLY449B, GLY455C, GLY462B, GLY466B, GLY466C, GLY472B, GLY472C, GLY476C, GLY486B, GLY486C, ILE416B, ILE416C, ILE438B, ILE438C, ILE452C, ILE458B, ILE458C, ILE463B, ILE463C, ILE470B, ILE470C, ILE491B, ILE491C, LEU389B, LEU389C, LEU405B, LEU405C, LEU407B, LEU407C, LEU414B, LEU414C, LEU433B, LEU433C, LEU435B, LEU435C, LEU440B, LEU440C, LEU445B, LEU445C, LEU450B, LEU450C, LEU488B, LEU488C, LYS412C, LYS415B, LYS415C, LYS418B, LYS421B, LYS422B, LYS422C, LYS436B, LYS436C, LYS439B, LYS439C, LYS469B, LYS469C, LYS489B, LYS489C, LYS490C, PHE427B, PHE427C, PHE451B, PHE451C, PHE485B, PHE485C, PRO456B, PRO456C, SER400B, SER400C, SER401B, SER401C, SER408B, SER408C, SER409B, SER409C, SER411B, SER411C, SER437B, SER437C, SER461B, SER467B, SER467C, THR390B, THR390C, THR397C, THR426B, THR426C, THR434B, THR434C, THR444B, THR444C, THR448B, THR459B, THR471B, THR471C, THR477C, TRP387B, TRP387C, VAL391B, VAL391C, VAL398C, VAL399B, VAL399C, VAL417B, VAL425B, VAL425C, VAL429B, VAL429C, VAL443C, VAL473B, VAL473C, VAL483B, VAL483C, VAL495B, VAL495C