2BRR

complex of the neisserial pora p1.4 epitope peptide and two fab-fragments (antibody mn20b9.34)

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 40
  • Norm. En. per Res.: -5.9924
• Hub Node: H(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
H-L	-34.2521	-10.8799	48.7933	3.6613	194	19	15	21545	4	16	12
H-P	-54.4533	-20.5997	-164.644	-239.6971	40	11	3	5366	2	3	1
H-Y	0.0	0.0	-30.5126	-30.5126	20	1	0	1216	0	0	0
L-P	0.0	0.0	-6.6701	-6.6701	5	1	0	261	0	0	1
P-X	0.0	0.0	-1.1082	-1.1082	6	0	0	69	0	0	0
P-Y	-15.6753	-15.0958	-111.991	-142.7622	31	3	2	3589	1	3	1
X-Y	-36.07	-16.9036	161.159	108.1853	200	24	15	21324	5	13	10

Interface residues

• H-L: ALA100H, ALA125H, ALA130L, ALA168H, ALA42L, ALA55L, ALA60H, ALA93H, ARG211L, ARG213H, ARG94H, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN35H, ASN53L, ASP101H, ASP130H, ASP165L, ASP167L, ASP170L, ASP61H, ASP62H, ASP95H, CYS128H, CYS134L, CYS140H, CYS214L, CYS88L, CYS92H, GLN105H, GLN124L, GLN171H, GLN37L, GLN38L, GLN39H, GLN6H, GLN89L, GLN90L, GLU123L, GLU1L, GLU211H, GLU213L, GLY100L, GLY101L, GLY104H, GLY106H, GLY129H, GLY129L, GLY139H, GLY158L, GLY162H, GLY214H, GLY215H, GLY41L, GLY42H, GLY44H, GLY49H, GLY93L, GLY98H, GLY99L, HIS164H, HIS34L, ILE117L, ILE210H, ILE48L, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU33L, LEU45H, LEU46L, LEU4H, LEU54L, LYS103L, LYS143H, LYS169L, LYS207L, LYS208H, LYS209H, LYS38H, LYS43H, LYS45L, LYS46H, MET100H, MET175L, MET48H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE63H, PHE91H, PHE98L, PRO100H, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER131L, SER135H, SER161H, SER162L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER29L, SER30L, SER31L, SER40L, SER43L, SER50L, SER56L, SER92L, SER99H, THR114L, THR126L, THR131H, THR132H, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR51L, THR58H, THR85L, THR89H, THR97L, TRP103H, TRP154H, TRP163L, TRP188H, TRP35L, TRP36H, TRP47H, TRP47L, TRP50H, TYR100H, TYR102H, TYR122H, TYR173L, TYR175H, TYR186L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91L, TYR94L, TYR96H, TYR96L, TYR97H, VAL115L, VAL121H, VAL127H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL37H
• H-P: ALA100H, ALA9P, ARG94H, ASN31H, ASN35H, ASN52H, ASN5P, ASN6P, ASP95H, GLU56H, GLY33H, GLY49H, GLY55H, GLY98H, ILE51H, LEU71H, LYS7P, MET100H, MET34H, PHE29H, PRO100H, SER99H, THR100H, THR10P, THR28H, THR30H, THR52H, THR54H, THR58H, TRP47H, TRP50H, TYR100H, TYR27H, TYR32H, TYR53H, TYR96H, TYR97H, VAL3P, VAL4P, VAL8P
• H-Y: ASN31H, ASN52H, ASN52Y, GLU56H, GLU56Y, GLY55H, SER99H, SER99Y, THR100H, THR100Y, THR30H, THR52H, THR54H, THR54Y, TRP50H, TYR100H, TYR100Y, TYR53H, TYR53Y, TYR97H
• L-P: ASN6P, LYS7P, TYR91L, TYR94L, TYR96L
• P-X: HIS11P, TYR32X, TYR91X, TYR94X, TYR96X, VAL8P
• P-Y: ALA9P, ASN31Y, ASN35Y, ASN52Y, ASN5P, ASN6P, ASP95Y, GLU56Y, GLY33Y, GLY55Y, HIS11P, ILE51Y, LEU71Y, LYS7P, MET34Y, PHE29Y, PRO100Y, THR100Y, THR10P, THR28Y, THR30Y, THR52Y, THR54Y, TRP50Y, TYR100Y, TYR32Y, TYR53Y, TYR97Y, VAL3P, VAL4P, VAL8P
• X-Y: ALA100Y, ALA125Y, ALA130X, ALA168Y, ALA42X, ALA55X, ALA60Y, ALA93Y, ARG211X, ARG213Y, ARG94Y, ASN137X, ASN138X, ASN161X, ASN210X, ASN212X, ASN35Y, ASN52Y, ASN53X, ASP101Y, ASP130Y, ASP165X, ASP167X, ASP170X, ASP173Y, ASP61Y, ASP62Y, ASP95Y, CYS128Y, CYS134X, CYS140Y, CYS214X, CYS88X, CYS92Y, GLN105Y, GLN124X, GLN171Y, GLN37X, GLN38X, GLN39Y, GLN6Y, GLN89X, GLN90X, GLU123X, GLU211Y, GLU213X, GLY100X, GLY101X, GLY104Y, GLY106Y, GLY128X, GLY129X, GLY129Y, GLY139Y, GLY158X, GLY162Y, GLY214Y, GLY215Y, GLY33Y, GLY41X, GLY42Y, GLY44Y, GLY49Y, GLY93X, GLY98Y, GLY99X, HIS164Y, HIS34X, ILE117X, ILE210Y, ILE48X, LEU124Y, LEU125X, LEU136X, LEU138Y, LEU141Y, LEU160X, LEU170Y, LEU174Y, LEU177Y, LEU179X, LEU181X, LEU33X, LEU45Y, LEU46X, LEU54X, LYS142X, LYS143Y, LYS169X, LYS207X, LYS208Y, LYS209Y, LYS38Y, LYS43Y, LYS45X, LYS46Y, LYS64Y, MET100Y, MET175X, MET48Y, PHE118X, PHE135X, PHE139X, PHE166Y, PHE209X, PHE63Y, PHE91Y, PHE98X, PRO100Y, PRO119X, PRO120X, PRO123Y, PRO126Y, PRO167Y, PRO41Y, PRO44X, PRO95X, SER116X, SER120Y, SER121X, SER122X, SER127X, SER131X, SER135Y, SER161Y, SER162X, SER172Y, SER174X, SER176X, SER177X, SER178Y, SER179Y, SER180Y, SER208X, SER29X, SER30X, SER31X, SER40X, SER43X, SER50X, SER56X, SER92X, THR107Y, THR114X, THR126X, THR131Y, THR132Y, THR137Y, THR164X, THR165Y, THR172X, THR176Y, THR178X, THR180X, THR182Y, THR51X, THR58Y, THR85X, THR89Y, THR97X, TRP103Y, TRP154Y, TRP163X, TRP188Y, TRP35X, TRP36Y, TRP47X, TRP47Y, TRP50Y, TYR100Y, TYR102Y, TYR122Y, TYR173X, TYR175Y, TYR186X, TYR192X, TYR32X, TYR36X, TYR49X, TYR59Y, TYR86X, TYR87X, TYR90Y, TYR91X, TYR94X, TYR96X, TYR96Y, TYR97Y, VAL115X, VAL121Y, VAL127Y, VAL132X, VAL133X, VAL136Y, VAL142Y, VAL159X, VAL163Y, VAL169Y, VAL181Y, VAL37Y