3GBN

crystal structure of fab cr6261 in complex with the 1918 h1n1 influenza virus hemagglutinin

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 241
  • Norm. En. per Res.: -3.946
• 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	-319.216	-26.1255	-605.656	-950.9975	241	45	32	33272	6	56	47
A-H	0.0	0.0	-63.9169	-63.9169	38	0	1	2354	0	3	4
B-H	-28.8236	0.0	-162.564	-191.3876	53	5	3	5861	0	8	4
H-L	-16.7604	9.7659	-376.822	-383.8165	147	13	7	15036	1	21	17

Interface residues

• A-B: ALA130B, ALA19A, ALA317A, ALA35B, ALA36B, ALA44B, ALA5B, ALA65B, ALA7A, ALA7B, ALA96B, ARG106B, ARG109A, ARG116B, ARG153B, ARG170B, ARG310A, ARG315A, ARG321A, ASN104B, ASN114B, ASN117B, ASN129B, ASN135B, ASN154B, ASN169B, ASN20A, ASN21A, ASN28B, ASN296A, ASN322A, ASN33A, ASN41A, ASN50B, ASN53B, ASN60B, ASN71B, ASN72B, ASN95B, ASP104A, ASP109B, ASP112B, ASP11A, ASP145B, ASP19B, ASP27A, ASP37B, ASP85B, ASP86B, ASP8A, ASP90B, CYS137B, CYS144B, CYS148B, CYS14A, CYS281A, CYS305A, GLN125B, GLN27B, GLN282A, GLN295A, GLN30B, GLN62B, GLU103B, GLU105B, GLU106A, GLU107A, GLU110A, GLU11B, GLU120B, GLU132B, GLU139B, GLU150B, GLU165B, GLU172B, GLU29B, GLU304A, GLU31A, GLU57B, GLU69B, GLU74B, GLU78B, GLU89A, GLU97B, GLY10A, GLY12B, GLY134B, GLY136B, GLY13B, GLY16A, GLY16B, GLY1B, GLY20B, GLY23B, GLY263A, GLY264A, GLY266A, GLY303A, GLY319A, GLY31B, GLY33B, GLY67B, GLY87B, GLY8B, HIS111B, HIS142B, HIS18A, HIS25B, HIS26B, HIS298A, HIS38A, ILE103A, ILE10B, ILE133B, ILE13A, ILE15A, ILE173B, ILE18B, ILE267A, ILE268A, ILE302A, ILE323A, ILE326A, ILE45B, ILE48B, ILE56B, ILE66A, ILE6B, ILE77B, ILE87A, ILE91B, LEU101B, LEU102B, LEU108B, LEU118B, LEU126B, LEU168B, LEU292A, LEU2B, LEU30A, LEU314A, LEU320A, LEU42A, LEU43A, LEU54A, LEU73B, LEU89B, LEU98B, LEU99B, LYS121B, LYS123B, LYS131B, LYS143B, LYS280A, LYS307A, LYS313A, LYS32A, LYS51B, LYS58B, LYS68B, LYS82B, MET149B, MET17B, MET316A, MET59B, PHE102A, PHE110B, PHE138B, PHE140B, PHE294A, PHE63B, PHE70B, PHE88B, PHE9B, PRO284A, PRO293A, PRO299A, PRO306A, PRO324A, PRO9A, SER113A, SER114A, SER151B, SER166B, SER22A, SER264A, SER265A, SER290A, SER291A, SER311A, SER325A, SER32B, SER39A, SER40B, SER54B, SER85A, THR107B, THR12A, THR15B, THR25A, THR269A, THR283A, THR28A, THR301A, THR312A, THR318A, THR35A, THR37A, THR41B, THR49B, THR61B, THR64B, THR93B, TRP14B, TRP21B, TRP92B, TYR105A, TYR119B, TYR141B, TYR157B, TYR17A, TYR22B, TYR24B, TYR308A, TYR34B, TYR86A, TYR94B, VAL100B, VAL115B, VAL122B, VAL152B, VAL26A, VAL29A, VAL300A, VAL309A, VAL34A, VAL36A, VAL40A, VAL52B, VAL55B, VAL66B
• A-H: ALA19A, ALA317A, ALA75H, ARG315A, ASN20A, ASN289A, ASN41A, ASP72H, ASP73H, GLY319A, GLY55H, GLY76H, HIS18A, HIS38A, ILE53H, LEU292A, LEU314A, LEU320A, LEU42A, LEU43A, LYS23H, LYS280A, MET316A, PHE294A, PHE29H, PHE54H, PHE74H, PRO28H, PRO293A, PRO52H, SER290A, SER291A, SER39A, THR318A, THR37A, THR56H, THR77H, VAL40A
• B-H: ALA33H, ALA36B, ALA44B, ALA75H, ARG100H, ARG30H, ASN43B, ASN50B, ASN53B, ASP19B, ASP37B, ASP46B, ASP73H, GLN38B, GLN42B, GLN99H, GLU57B, GLY20B, GLY26H, GLY27H, GLY47B, GLY55H, GLY76H, GLY97H, HIS111B, ILE18B, ILE45B, ILE48B, ILE52H, ILE53H, ILE56B, LYS39B, LYS51B, LYS58H, MET17B, MET96H, PHE29H, PHE54H, PHE74H, PRO28H, PRO52H, SER31H, SER40B, SER54B, THR41B, THR49B, THR56H, TRP21B, TYR22B, TYR32H, TYR98H, VAL52B, VAL55B
• H-L: ALA127L, ALA130L, ALA174L, ALA175L, ALA176H, ALA40H, ALA43L, ALA60H, ALA89L, ALA93H, ALA95L, ARG100H, ARG38H, ARG54L, ARG93L, ARG94L, ASN51L, ASN85L, ASP101H, ASP138L, ASP146H, ASP31L, ASP50L, ASP92L, CYS134L, CYS142H, CYS88L, CYS92H, GLN126L, GLN167L, GLN179H, GLN38L, GLN39H, GLN43H, GLN64H, GLN6L, GLN99H, GLU100H, GLU123L, GLU124L, GLU160L, GLU1H, GLU46H, GLU6H, GLY100L, GLY101L, GLY104H, GLY106H, GLY141H, GLY158L, GLY41L, GLY42H, GLY44H, GLY49H, GLY50H, GLY99L, HIS95H, ILE136L, ILE48L, ILE52H, LEU124H, LEU125L, LEU132L, LEU135L, LEU143H, LEU178H, LEU179L, LEU187H, LEU39L, LEU46L, LEU47L, LEU4L, LYS105H, LYS129L, LYS145H, LYS166L, LYS45L, LYS53L, LYS58H, LYS62H, LYS94H, MET100H, MET48H, MET89H, MET96H, PHE122H, PHE139L, PHE174H, PHE63H, PHE98L, PRO123H, PRO164L, PRO175H, PRO44L, PRO45H, PRO55L, PRO61H, PRO95L, SER120H, SER137L, SER165L, SER176L, SER177L, SER180H, SER180L, SER182H, SER186H, SER188H, SER34L, SER35H, SER56L, THR100H, THR131L, THR161L, THR162L, THR163L, THR173H, THR42L, THR90L, THR95L, TRP103H, TRP35L, TRP36H, TRP47H, TRP91L, TYR173L, TYR178L, TYR32L, TYR36L, TYR49L, TYR59H, TYR86L, TYR87L, TYR91H, TYR95L, VAL100H, VAL102H, VAL121H, VAL133L, VAL144H, VAL159L, VAL177H, VAL33L, VAL37H, VAL3L, VAL96L, VAL97L