3O0R

crystal structure of nitric oxide reductase from pseudomonas aeruginosa in complex with antibody fragment

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 259
  • Norm. En. per Res.: -4.4417
• Hub Node: L(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
L-H	-14.9732	-27.1941	-498.093	-540.2603	196	19	9	19892	3	24	15
L-B	0.0	0.0	-0.0015	-0.0015	2	0	0	1	0	2	0
L-C	0.0	0.0	-51.8685	-51.8685	32	3	2	2338	0	0	3
H-B	-9.2823	5.6011	-92.021	-95.7022	46	5	1	3684	0	1	4
H-C	-3.7025	0.0	-37.0643	-40.7668	35	1	2	1949	1	10	4
B-C	-119.4012	-99.9895	-931.018	-1150.4087	259	52	22	36909	5	49	40

Interface residues

• L-H: ALA100L, ALA130L, ALA136H, ALA179H, ALA34L, ALA50H, ARG199H, ARG211L, ARG224H, ARG30L, ARG40H, ARG98H, ASN108H, ASN137L, ASN138L, ASN161L, ASN210L, ASN212L, ASN44L, ASN61H, ASN92L, ASP112H, ASP141H, ASP165L, ASP167L, ASP170L, ASP1L, CYS110H, CYS134L, CYS139H, CYS151H, CYS88L, CYS96H, GLN116H, GLN124L, GLN182H, GLN37L, GLN39H, GLN3H, GLN3L, GLN43H, GLN55L, GLN5H, GLN62H, GLN6H, GLN6L, GLN89L, GLN90L, GLU123L, GLU213L, GLU222H, GLU38L, GLU46H, GLU93L, GLY101L, GLY115H, GLY117H, GLY128L, GLY129L, GLY140H, GLY144H, GLY150H, GLY158L, GLY173H, GLY225H, GLY41L, GLY42H, GLY44H, GLY49H, GLY51L, GLY99L, HIS175H, HIS35H, HIS91L, ILE117L, ILE221H, ILE48H, ILE48L, LEU101H, LEU125L, LEU135H, LEU136L, LEU149H, LEU152H, LEU160L, LEU181H, LEU181L, LEU185H, LEU188H, LEU33L, LEU45H, LEU46L, LEU47L, LEU4H, LEU96L, LYS107H, LYS154H, LYS169L, LYS207L, LYS219H, LYS220H, LYS31L, LYS38H, LYS42L, LYS45L, LYS63H, LYS65H, MET175L, MET85L, PHE111H, PHE118L, PHE135L, PHE139L, PHE177H, PHE209L, PHE56L, PHE64H, PHE98L, PRO119L, PRO120L, PRO134H, PRO137H, PRO178H, PRO95L, SER100H, SER116L, SER121L, SER122L, SER127L, SER131H, SER131L, SER146H, SER162L, SER172H, SER174L, SER176L, SER177L, SER183H, SER189H, SER190H, SER191H, SER208L, SER50L, SER59H, SER97H, SER99H, THR114L, THR126L, THR143H, THR148H, THR164L, THR172L, THR176H, THR178L, THR180L, THR187H, THR193H, THR43L, THR53L, THR97L, TRP109H, TRP114H, TRP163L, TRP165H, TRP33H, TRP35L, TRP36H, TRP47H, TYR133H, TYR173L, TYR186H, TYR186L, TYR192L, TYR32L, TYR36L, TYR49L, TYR60H, TYR86L, TYR87L, TYR94L, TYR95H, VAL106H, VAL113H, VAL115L, VAL132H, VAL132L, VAL133L, VAL138H, VAL147H, VAL153H, VAL159L, VAL174H, VAL180H, VAL192H, VAL37H, VAL93H
• L-B: ARG30L, ASP45B
• L-C: ALA97C, ARG30L, ARG85C, ASN105C, ASN92L, GLN102C, GLN55L, GLN96C, GLY108C, GLY57L, HIS91L, ILE101C, ILE58L, LEU104C, LEU54L, LEU95C, LYS100C, LYS31L, MET99C, PHE56L, PHE94C, PRO103C, PRO107C, SER50L, SER52L, SER60L, THR53L, THR93C, TRP98C, TYR32L, TYR49L, VAL106C
• H-B: ALA419B, ALA422B, ALA423B, ALA428B, ALA434B, ARG98H, ASN55H, ASP102H, ASP420B, ASP431B, GLN415B, GLN430B, GLN432B, GLY103H, GLY26H, GLY421B, GLY54H, ILE435B, LEU101H, LEU414B, LEU433B, MET424B, MET427B, PHE29H, PHE426B, PRO418B, PRO53H, SER25H, SER28H, SER31H, SER56H, SER75H, SER77H, THR30H, THR425B, THR429B, THR74H, TRP438B, TYR104H, TYR105H, TYR27H, TYR32H, TYR437B, TYR52H, VAL106H, VAL42B
• H-C: ARG109C, ARG84C, ARG85C, ARG98H, ASN105C, ASN108H, ASP102H, ASP112H, GLU145C, GLU1H, GLY103H, GLY108C, GLY26H, GLY86C, ILE101C, LEU101H, LEU104C, LYS107H, LYS144C, PRO107C, PRO76C, SER100H, SER28H, SER31H, SER99H, TRP109H, TRP33H, TRP98C, TYR104H, TYR105H, TYR27H, TYR32H, VAL106C, VAL106H, VAL2H
• B-C: ALA10C, ALA111C, ALA118B, ALA121B, ALA169B, ALA246B, ALA248B, ALA27C, ALA332B, ALA345B, ALA346B, ALA419B, ALA422B, ALA423B, ALA428B, ALA434B, ALA43C, ALA47C, ALA56B, ALA72C, ALA75C, ARG109C, ARG110C, ARG11C, ARG122B, ARG134B, ARG197B, ARG234B, ARG39C, ARG416B, ARG440B, ARG51C, ARG57B, ARG84C, ARG85C, ASN105C, ASN126B, ASN12C, ASN138C, ASN143C, ASN191B, ASN194B, ASN335B, ASN41C, ASN54B, ASN59C, ASN60C, ASN80C, ASP136C, ASP198B, ASP420B, ASP431B, ASP45B, CYS61C, CYS64C, GLN102C, GLN114C, GLN121C, GLN139C, GLN342B, GLN40B, GLN411B, GLN415B, GLN430B, GLN58C, GLU127B, GLU135B, GLU138B, GLU145C, GLU193B, GLU235B, GLU238B, GLU33C, GLU38C, GLU42C, GLU57C, GLU70C, GLU77C, GLY108C, GLY119B, GLY133B, GLY146C, GLY16C, GLY177B, GLY17C, GLY252B, GLY255B, GLY257B, GLY264B, GLY267B, GLY340B, GLY348B, GLY38B, GLY421B, GLY44B, GLY63C, GLY69C, GLY71C, GLY79C, GLY8C, HIS116C, HIS207B, HIS258B, HIS259B, HIS31C, HIS339B, HIS349B, HIS65C, ILE135C, ILE13C, ILE170B, ILE22C, ILE237B, ILE244B, ILE245B, ILE250B, ILE253B, ILE254B, ILE263B, ILE36B, ILE51B, LEU104C, LEU117C, LEU120B, LEU129C, LEU137B, LEU184B, LEU195B, LEU208B, LEU216B, LEU23C, LEU241B, LEU249B, LEU24C, LEU26C, LEU270B, LEU272B, LEU28C, LEU343B, LEU36C, LEU39B, LEU404B, LEU414B, LEU433B, LEU54C, LEU67C, LEU68C, LYS144C, LYS199B, LYS239B, LYS34C, LYS53C, LYS7C, MET112C, MET132B, MET172B, MET247B, MET37B, MET417B, MET424B, MET427B, MET45C, MET58B, MET9C, PHE115C, PHE128C, PHE136B, PHE15C, PHE187B, PHE200B, PHE20C, PHE21C, PHE25C, PHE261B, PHE276B, PHE426B, PHE46B, PHE48B, PHE53B, PHE5C, PHE74C, PRO103C, PRO107C, PRO113C, PRO116B, PRO130B, PRO141C, PRO142C, PRO192B, PRO266B, PRO37C, PRO418B, PRO49B, PRO52B, PRO76C, SER132C, SER133C, SER18C, SER251B, SER46C, THR131B, THR137C, THR168B, THR176B, THR196B, THR256B, THR29C, THR32C, THR338B, THR341B, THR344B, THR35C, THR40C, THR425B, THR429B, THR61B, THR66C, THR6C, TRP129B, TRP131C, TRP140C, TRP202B, TRP203B, TRP204B, TRP240B, TRP262B, TRP269B, TRP271B, TRP56C, TRP98C, TYR117B, TYR14C, TYR190B, TYR201B, TYR242B, TYR260B, TYR268B, TYR30C, TYR336B, TYR337B, TYR41B, TYR437B, TYR73C, VAL106C, VAL173B, VAL19C, VAL213B, VAL236B, VAL243B, VAL265B, VAL412B, VAL42B, VAL43B, VAL49C, VAL50C, VAL55B, VAL55C, VAL59B, VAL62C