3U36

crystal structure of pg9 fab

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 68
  • Norm. En. per Res.: -2.7885
• Hub Node: L(4)

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	-22.7639	-25.5135	-434.925	-483.2025	181	22	13	18741	5	30	47
H-C	-7.1119	0.0	-7.9511	-15.063	19	3	0	409	0	1	1
H-D	-10.1839	-4.415	-158.879	-173.4779	69	12	0	5952	0	14	15
L-B	0.0	0.0	-0.5629	-0.5629	8	0	0	137	0	0	0
L-C	0.0	0.0	-12.9222	-12.9222	27	0	0	745	0	1	4
L-D	0.0	0.0	-5.2961	-5.2961	9	0	0	373	0	0	2
L-E	-13.656	1.1551	-99.6675	-112.1684	75	6	0	4511	0	7	10
A-B	-19.3059	-28.2895	-425.751	-473.3464	180	15	13	18812	7	30	45
A-E	-12.6372	0.0	-7.654	-20.2913	19	6	0	549	0	1	3
A-F	-11.3297	-5.2573	-173.031	-189.6181	68	12	0	6160	0	14	15
B-C	-16.9272	1.1054	-106.462	-122.2839	74	6	0	4667	0	8	11
B-E	0.0	0.0	-14.0227	-14.0227	28	4	0	845	0	1	4
B-F	0.0	0.0	-6.3129	-6.3129	9	0	0	374	0	0	2
C-D	-24.3112	-19.0278	-377.042	-420.381	178	14	13	18174	6	30	45
E-F	-24.6002	-20.9826	-391.51	-437.0928	181	23	13	17935	4	30	44

Interface residues

• H-L: ALA125H, ALA127L, ALA130L, ALA136H, ALA137H, ALA168H, ALA173L, ALA174L, ALA3L, ALA40H, ALA43L, ALA49H, ALA60H, ALA96H, ARG38H, ARG54L, ARG94H, ARG95L, ARG96L, ASN100H, ASN169L, ASP101H, ASP138L, ASP144H, ASP50L, ASP61H, ASP85L, CYS134L, CYS140H, CYS88L, CYS92H, GLN126L, GLN167L, GLN171H, GLN37L, GLN38L, GLN39H, GLN43H, GLU123L, GLU124L, GLU160L, GLU212H, GLU31L, GLU46H, GLU56H, GLU6H, GLU95H, GLY101L, GLY104H, GLY106H, GLY139H, GLY158L, GLY174H, GLY33H, GLY41L, GLY42H, GLY44H, GLY99L, HIS100H, HIS164H, HIS35H, HIS59H, ILE136L, ILE48L, ILE51H, LEU117L, LEU124H, LEU125L, LEU132L, LEU135L, LEU138H, LEU141H, LEU170H, LEU175H, LEU178H, LEU178L, LEU180L, LEU45H, LEU91L, LYS105H, LYS117H, LYS129L, LYS143H, LYS166L, LYS209H, LYS210H, LYS42L, LYS45L, LYS52H, LYS53L, LYS57H, LYS89L, MET100H, MET34H, PHE118L, PHE122H, PHE139L, PHE166H, PHE50H, PHE91H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO40L, PRO41H, PRO44L, PRO55L, SER114L, SER120H, SER121L, SER122L, SER127H, SER137L, SER165L, SER168L, SER172H, SER173H, SER175L, SER176L, SER177H, SER179H, SER179L, SER180H, SER2L, SER32L, SER34L, SER56L, SER62H, SER90L, THR100L, THR102L, THR116L, THR131L, THR161L, THR162L, THR163L, THR165H, THR183H, THR89H, THR92L, THR94L, TRP103H, TRP35L, TRP36H, TRP47H, TRP64H, TYR100H, TYR172L, TYR176H, TYR177L, TYR30L, TYR36L, TYR49L, TYR58H, TYR86L, TYR87L, VAL102H, VAL115L, VAL121H, VAL133L, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL182H, VAL206L, VAL211H, VAL33L, VAL37H, VAL46L, VAL47L, VAL48H, VAL51L, VAL63H, VAL93H, VAL97L
• H-C: ALA158C, ASN100H, ASP53H, GLU56H, GLY162C, HIS100H, HIS164C, LEU159C, LYS52H, LYS57H, SER161C, SER55H, THR160C, THR183C, TYR100H, TYR52H, TYR58H, VAL163C, VAL182C
• H-D: ALA173D, ALA49H, ALA60H, ALA80D, ARG66H, ARG83H, ASN169D, ASN170D, ASN82H, ASP138D, ASP61H, ASP82D, ASP86H, GLN108D, GLN13H, GLN167D, GLN37D, GLN79D, GLN81H, GLU56H, GLU81D, GLU83D, GLU85H, GLY107D, GLY13D, GLY142D, GLY15H, GLY16D, GLY65H, GLY77D, HIS39D, HIS59H, ILE69H, LEU106D, LEU67H, LEU78D, LEU80H, LEU82H, LYS103D, LYS166D, LYS171D, LYS57H, MET82H, PHE139D, PHE50H, PRO109D, PRO141D, PRO14H, PRO15D, SER113H, SER14D, SER165D, SER168D, SER16H, SER17H, SER55H, SER62H, SER68H, SER82H, THR105D, TRP47H, TRP64H, TYR140D, TYR172D, TYR58H, VAL106D, VAL48H, VAL63H, VAL84H
• L-B: ASN69B, ASN69L, GLY68B, GLY68L, SER27B, SER27L, SER67B, SER67L
• L-C: ALA158C, ARG3C, ARG95L, ASN27L, ASN69L, GLY157C, GLY162C, GLY26C, HIS164C, LEU159C, LEU91L, LYS201C, PRO149C, PRO154L, SER153C, SER153L, SER161C, SER27L, SER93L, THR151C, THR160C, THR165C, THR92L, THR94L, TYR30L, VAL152C, VAL163C
• L-D: ARG95L, ASN169D, ASN170D, GLN167D, LYS166D, SER168D, SER56D, THR181L, THR94L
• L-E: ALA111L, ALA112L, ALA114E, ALA23E, ARG19E, ARG54L, ARG61L, ASN204E, ASN60L, ASP50L, GLN108L, GLN13E, GLN17L, GLN79L, GLN81E, GLU31L, GLY10E, GLY13L, GLY15E, GLY16L, GLY64L, GLY68L, GLY77L, GLY8E, GLY9E, HIS200E, ILE19L, ILE75L, LEU106L, LEU18E, LEU78L, LEU82E, LYS110L, LYS117E, LYS201E, LYS53L, LYS66L, LYS75E, PHE146E, PHE62L, PRO109L, PRO147E, PRO14E, PRO15L, PRO202E, SER112E, SER113E, SER115E, SER14L, SER16E, SER17E, SER18L, SER200L, SER203E, SER21E, SER52L, SER63L, SER65L, SER67L, SER72L, SER76L, SER7E, THR108E, THR110E, THR116E, THR205E, THR20L, THR70L, THR74L, TYR79E, VAL109E, VAL111E, VAL11E, VAL12E, VAL51L
• A-B: ALA125A, ALA127B, ALA130B, ALA136A, ALA137A, ALA168A, ALA173B, ALA174B, ALA3B, ALA43B, ALA49A, ALA60A, ALA96A, ARG38A, ARG54B, ARG94A, ARG95B, ARG96B, ASN100A, ASN169B, ASP101A, ASP138B, ASP144A, ASP50B, ASP61A, ASP85B, CYS134B, CYS140A, CYS88B, CYS92A, GLN126B, GLN167B, GLN171A, GLN37B, GLN38B, GLN39A, GLN43A, GLU123B, GLU124B, GLU160B, GLU212A, GLU31B, GLU46A, GLU56A, GLU6A, GLU95A, GLY101B, GLY104A, GLY106A, GLY139A, GLY158B, GLY174A, GLY33A, GLY41B, GLY42A, GLY44A, GLY99B, HIS100A, HIS164A, HIS35A, HIS59A, ILE136B, ILE48B, ILE51A, LEU117B, LEU124A, LEU125B, LEU132B, LEU135B, LEU138A, LEU141A, LEU170A, LEU175A, LEU178A, LEU178B, LEU180B, LEU45A, LEU91B, LYS105A, LYS117A, LYS129B, LYS143A, LYS166B, LYS204B, LYS209A, LYS210A, LYS42B, LYS45B, LYS52A, LYS53B, LYS57A, LYS89B, MET100A, MET34A, PHE118B, PHE122A, PHE139B, PHE166A, PHE50A, PHE91A, PHE98B, PRO119B, PRO120B, PRO123A, PRO126A, PRO164B, PRO167A, PRO40B, PRO41A, PRO44B, PRO55B, SER114B, SER120A, SER121B, SER122B, SER127A, SER137B, SER165B, SER168B, SER172A, SER173A, SER175B, SER176B, SER177A, SER179A, SER179B, SER180A, SER2B, SER32B, SER34B, SER56B, SER62A, SER90B, THR100B, THR102B, THR116B, THR131B, THR161B, THR162B, THR163B, THR165A, THR183A, THR89A, THR92B, THR94B, TRP103A, TRP35B, TRP36A, TRP47A, TRP64A, TYR100A, TYR172B, TYR176A, TYR177B, TYR30B, TYR36B, TYR49B, TYR58A, TYR86B, TYR87B, VAL102A, VAL115B, VAL121A, VAL133B, VAL142A, VAL159B, VAL169A, VAL181A, VAL182A, VAL206B, VAL211A, VAL33B, VAL37A, VAL46B, VAL47B, VAL48A, VAL51B, VAL63A, VAL93A, VAL97B
• A-E: ALA158E, ASN100A, ASP53A, GLU56A, GLY162E, HIS100A, HIS164E, LEU159E, LYS52A, LYS57A, SER161E, SER55A, THR160E, THR183E, TYR100A, TYR52A, TYR58A, VAL163E, VAL182E
• A-F: ALA173F, ALA49A, ALA60A, ALA80F, ARG66A, ARG83A, ASN169F, ASN170F, ASN82A, ASP138F, ASP61A, ASP82F, ASP86A, GLN108F, GLN13A, GLN167F, GLN37F, GLN79F, GLN81A, GLU56A, GLU81F, GLU83F, GLU85A, GLY107F, GLY13F, GLY142F, GLY15A, GLY16F, GLY65A, HIS39F, HIS59A, ILE69A, LEU106F, LEU67A, LEU78F, LEU80A, LEU82A, LYS103F, LYS166F, LYS171F, LYS57A, MET82A, PHE139F, PHE50A, PRO109F, PRO141F, PRO14A, PRO15F, SER113A, SER14F, SER165F, SER168F, SER16A, SER17A, SER55A, SER62A, SER68A, SER82A, THR105F, TRP47A, TRP64A, TYR140F, TYR172F, TYR58A, VAL106F, VAL48A, VAL63A, VAL84A
• B-C: ALA111B, ALA112B, ALA114C, ARG19C, ARG54B, ARG61B, ASN204C, ASN60B, ASP50B, GLN108B, GLN13C, GLN17B, GLN79B, GLN81C, GLU31B, GLY10C, GLY13B, GLY15C, GLY16B, GLY64B, GLY68B, GLY77B, GLY8C, GLY9C, HIS200C, ILE19B, ILE75B, LEU106B, LEU18C, LEU20C, LEU78B, LEU82C, LYS110B, LYS117C, LYS201C, LYS53B, LYS66B, LYS75C, PHE146C, PHE62B, PRO109B, PRO147C, PRO14C, PRO15B, PRO202C, SER112C, SER113C, SER115C, SER14B, SER16C, SER17C, SER18B, SER203C, SER21C, SER52B, SER63B, SER65B, SER67B, SER72B, SER76B, SER7C, THR108C, THR110C, THR116C, THR205C, THR20B, THR70B, THR74B, TYR79C, VAL109C, VAL111C, VAL11C, VAL12C, VAL51B
• B-E: ALA158E, ARG3E, ARG95B, ASN27B, ASN69B, GLY157E, GLY162E, HIS164E, LEU159E, LEU91B, LYS201E, PRO149E, PRO154B, SER153B, SER153E, SER156E, SER161E, SER27B, SER93B, THR151E, THR160E, THR165E, THR26B, THR92B, THR94B, TYR30B, VAL152E, VAL163E
• B-F: ARG95B, ASN169F, ASN170F, GLN167F, LYS166F, SER168F, SER56F, THR181B, THR94B
• C-D: ALA125C, ALA127D, ALA130D, ALA136C, ALA137C, ALA168C, ALA173D, ALA174D, ALA3D, ALA43D, ALA49C, ALA60C, ALA96C, ARG38C, ARG54D, ARG94C, ARG95D, ARG96D, ASN100C, ASN169D, ASP101C, ASP138D, ASP144C, ASP50D, ASP61C, ASP85D, CYS134D, CYS140C, CYS88D, CYS92C, GLN126D, GLN167D, GLN171C, GLN37D, GLN38D, GLN39C, GLN43C, GLU123D, GLU124D, GLU160D, GLU212C, GLU31D, GLU46C, GLU56C, GLU95C, GLY101D, GLY104C, GLY106C, GLY139C, GLY158D, GLY174C, GLY33C, GLY41D, GLY42C, GLY44C, GLY65C, GLY99D, HIS100C, HIS164C, HIS35C, HIS59C, ILE136D, ILE48D, ILE51C, LEU117D, LEU124C, LEU125D, LEU132D, LEU135D, LEU138C, LEU141C, LEU170C, LEU175C, LEU178C, LEU178D, LEU180D, LEU45C, LEU91D, LYS105C, LYS117C, LYS129D, LYS143C, LYS166D, LYS209C, LYS210C, LYS42D, LYS45D, LYS52C, LYS53D, LYS57C, LYS89D, MET100C, MET34C, PHE118D, PHE122C, PHE139D, PHE166C, PHE50C, PHE91C, PHE98D, PRO119D, PRO120D, PRO123C, PRO126C, PRO164D, PRO167C, PRO213C, PRO40D, PRO41C, PRO44D, PRO55D, SER114D, SER120C, SER121D, SER122D, SER127C, SER137D, SER165D, SER168D, SER172C, SER173C, SER175D, SER176D, SER177C, SER179C, SER179D, SER180C, SER2D, SER32D, SER34D, SER56D, SER62C, SER90D, THR100D, THR102D, THR116D, THR131D, THR161D, THR162D, THR163D, THR165C, THR89C, THR92D, THR94D, TRP103C, TRP35D, TRP36C, TRP47C, TRP64C, TYR100C, TYR172D, TYR176C, TYR177D, TYR30D, TYR36D, TYR49D, TYR58C, TYR86D, TYR87D, VAL102C, VAL121C, VAL133D, VAL142C, VAL159D, VAL169C, VAL181C, VAL182C, VAL206D, VAL211C, VAL33D, VAL37C, VAL46D, VAL47D, VAL48C, VAL51D, VAL63C, VAL93C, VAL97D
• E-F: ALA125E, ALA127F, ALA130F, ALA136E, ALA137E, ALA168E, ALA173F, ALA174F, ALA3F, ALA40E, ALA43F, ALA49E, ALA60E, ALA96E, ARG38E, ARG54F, ARG94E, ARG95F, ARG96F, ASN100E, ASN169F, ASP101E, ASP138F, ASP144E, ASP50F, ASP61E, ASP85F, CYS134F, CYS140E, CYS88F, CYS92E, GLN126F, GLN167F, GLN171E, GLN37F, GLN38F, GLN39E, GLN43E, GLU123F, GLU124F, GLU160F, GLU212E, GLU31F, GLU46E, GLU56E, GLU95E, GLY101F, GLY104E, GLY106E, GLY139E, GLY158F, GLY174E, GLY33E, GLY41F, GLY42E, GLY44E, GLY65E, GLY99F, HIS100E, HIS164E, HIS35E, HIS39F, HIS59E, ILE136F, ILE48F, ILE51E, LEU117F, LEU124E, LEU125F, LEU132F, LEU135F, LEU138E, LEU141E, LEU170E, LEU175E, LEU178E, LEU178F, LEU180F, LEU45E, LEU91F, LYS105E, LYS117E, LYS129F, LYS143E, LYS166F, LYS209E, LYS210E, LYS42F, LYS45F, LYS52E, LYS53F, LYS57E, LYS89F, MET100E, MET34E, PHE118F, PHE122E, PHE139F, PHE166E, PHE50E, PHE91E, PHE98F, PRO119F, PRO120F, PRO123E, PRO126E, PRO164F, PRO167E, PRO213E, PRO40F, PRO41E, PRO44F, PRO55F, SER114F, SER120E, SER121F, SER122F, SER127E, SER137F, SER165F, SER168F, SER172E, SER173E, SER175F, SER176F, SER177E, SER179E, SER179F, SER180E, SER2F, SER32F, SER34F, SER56F, SER62E, SER90F, THR100F, THR102F, THR116F, THR131F, THR161F, THR162F, THR163F, THR165E, THR89E, THR92F, THR94F, TRP103E, TRP35F, TRP36E, TRP47E, TRP64E, TYR100E, TYR172F, TYR176E, TYR177F, TYR30F, TYR36F, TYR49F, TYR58E, TYR86F, TYR87F, VAL102E, VAL121E, VAL133F, VAL142E, VAL159F, VAL163E, VAL169E, VAL181E, VAL182E, VAL206F, VAL211E, VAL33F, VAL37E, VAL46F, VAL47F, VAL48E, VAL51F, VAL63E, VAL93E, VAL97F