1RJL

structure of the complex between ospb-ct and bactericidal fab-h6831

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 23
  • Norm. En. per Res.: -4.0788
• 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	-10.9872	-15.9753	-450.007	-476.9696	188	9	11	18244	1	13	12
A-C	0.0	0.0	-52.7915	-52.7915	23	0	1	1811	0	0	0
B-C	-19.049	-26.8238	-118.062	-163.9348	47	11	0	3967	3	12	13
C-D	-44.0493	0.0	-49.7639	-93.8132	23	4	0	2114	0	0	0

Interface residues

• A-B: ALA106B, ALA130A, ALA132B, ALA175B, ALA37B, ALA51A, ALA97B, ARG100B, ARG211A, ARG220B, ARG98B, ASN109B, ASN137A, ASN138A, ASN161A, ASN210A, ASN212A, ASN34A, ASN53A, ASN61B, ASP103B, ASP108B, ASP165A, ASP167A, ASP170A, ASP1A, ASP1A5, CB8.8867259.43802, CYS134A, CYS135B, CYS147B, CYS88A, CYS96B, GLN112B, GLN124A, GLN178B, GLN38A, GLN39B, GLN3A, GLN43B, GLN6B, GLN89A, GLN90A, GLN92A, GLU123A, GLU46B, GLU50B, GLU62B, GLY100A, GLY101A, GLY102B, GLY111B, GLY113B, GLY129A, GLY136B, GLY146B, GLY151B, GLY158A, GLY169B, GLY221B, GLY41A, GLY42B, GLY44B, GLY49B, GLY91A, GLY99A, HIS171B, HIS35B, HIS55A, HIS59B, ILE117A, ILE217B, ILE43A, ILE48A, ILE48B, LEU125A, LEU131B, LEU136A, LEU145B, LEU148B, LEU160A, LEU177B, LEU179A, LEU181A, LEU181B, LEU184B, LEU33A, LEU45B, LEU46A, LEU47A, LEU4B, LEU54A, LEU96A, LYS150B, LYS169A, LYS207A, LYS215B, LYS216B, LYS38B, LYS45A, LYS63B, LYS65B, MET107B, MET175A, MET50A, MET99B, PHE118A, PHE135A, PHE139A, PHE173B, PHE209A, PHE36A, PHE64B, PHE94A, PHE98A, PRO119A, PRO120A, PRO127B, PRO130B, PRO133B, PRO174B, PRO44A, PRO95A, SER116A, SER121A, SER122A, SER127A, SER131A, SER142B, SER162A, SER167B, SER168B, SER174A, SER176A, SER177A, SER185B, SER186B, SER187B, SER208A, SER42A, SER93A, THR114A, THR126A, THR139B, THR144B, THR164A, THR172A, THR172B, THR178A, THR180A, THR183B, THR189B, THR56A, THR58B, THR85A, THR97A, TRP110B, TRP161B, TRP163A, TRP195B, TRP32A, TRP33B, TRP35A, TRP36B, TRP47B, TYR101B, TYR104B, TYR105B, TYR129B, TYR173A, TYR182B, TYR186A, TYR49A, TYR60B, TYR87A, TYR95B, VAL115A, VAL128B, VAL132A, VAL133A, VAL134B, VAL143B, VAL159A, VAL170B, VAL176B, VAL188B, VAL31A, VAL93B
• A-C: ALA274C, ASN272C, ASN30A, GLN90A, GLN92A, GLU279C, GLY275C, GLY91A, ILE29A, LEU278C, LEU96A, LYS253C, LYS254C, MET50A, PHE94A, PRO95A, SER277C, SER93A, THR273C, THR276C, TRP32A, TYR271C, VAL31A
• B-C: ALA230C, ALA250C, ALA274C, ARG100B, ASN233C, ASN272C, ASN54B, ASN57B, ASP103B, ASP251C, GLU50B, GLY102B, GLY231C, GLY275C, HIS35B, HIS52B, HIS59B, ILE51B, LYS234C, LYS235C, LYS238C, LYS253C, LYS254C, MET99B, PHE29B, PRO53B, SER232C, SER249C, SER252C, SER277C, SER31B, SER32B, SER55B, THR255C, THR273C, THR276C, THR28B, THR30B, THR58B, THR74B, TRP33B, TRP47B, TYR101B, TYR104B, TYR105B, TYR271C, TYR60B
• C-D: ARG214C, GLU204C, GLU207C, GLU215C, GLY208C, ILE205C, LEU212C, LEU288C, LEU291C, LEU295C, LYS206C, LYS213C, LYS218C, LYS292C, THR202C, THR211C, UNK1D, UNK2D, UNK3D, UNK4D, UNK5D, VAL203C, VAL210C