3HRI

histidyl-trna synthetase (apo) from trypanosoma brucei

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 339
  • Norm. En. per Res.: -4.788
• Hub Node: A(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
A-B	-190.1342	-301.1105	-1131.89	-1623.1347	339	57	22	42809	26	140	129
A-C	0.0	0.0	-0.005	-0.005	2	0	0	6	0	0	4
A-D	-23.9335	-7.7345	-115.788	-147.456	81	11	2	4826	3	41	38
C-D	-188.2048	-287.5491	-1102.39	-1578.1439	340	41	22	41712	24	140	127
C-E	0.0	0.0	-0.0035	-0.0035	2	0	0	5	0	0	3
C-F	-27.5748	-6.6529	-96.0561	-130.2838	78	17	2	4596	3	38	34
E-F	-187.506	-299.3334	-1116.34	-1603.1794	337	42	22	42438	25	139	126

Interface residues

• A-B: ALA121A, ALA121B, ALA131A, ALA131B, ALA136A, ALA136B, ALA145A, ALA145B, ALA189A, ALA189B, ALA298A, ALA298B, ALA398A, ALA398B, ALA408A, ALA412A, ALA412B, ALA78A, ALA78B, ARG119A, ARG119B, ARG123A, ARG123B, ARG132A, ARG132B, ARG139B, ARG155A, ARG155B, ARG165A, ARG165B, ARG340A, ARG340B, ARG395A, ARG395B, ARG403A, ARG403B, ARG404A, ARG404B, ARG406A, ARG406B, ARG410A, ARG410B, ARG430A, ARG430B, ARG57A, ARG57B, ARG65A, ARG65B, ARG67A, ARG67B, ARG79A, ARG79B, ARG99A, ARG99B, ASN111A, ASN111B, ASP291A, ASP291B, ASP303A, ASP384A, ASP384B, ASP385A, ASP385B, ASP407A, ASP407B, ASP413A, ASP413B, ASP417A, ASP417B, ASP58A, ASP58B, ASP87A, ASP87B, CYS188A, CYS188B, CYS191A, CYS191B, CYS56A, CYS56B, GLN133A, GLN133B, GLN152A, GLN152B, GLN195A, GLN195B, GLN295A, GLN295B, GLN423A, GLN423B, GLN54A, GLN54B, GLU157A, GLU157B, GLU166A, GLU166B, GLU183A, GLU183B, GLU185A, GLU185B, GLU297A, GLU297B, GLU392A, GLU392B, GLU49A, GLU49B, GLU51A, GLU51B, GLU62A, GLU62B, GLU84A, GLU84B, GLU85A, GLU85B, GLU92A, GLU92B, GLU94A, GLU94B, GLU95A, GLU95B, GLY138A, GLY138B, GLY176A, GLY176B, GLY300A, GLY300B, GLY302A, GLY302B, GLY349A, GLY349B, GLY409A, GLY409B, GLY55A, GLY55B, GLY82A, GLY82B, HIS118A, HIS118B, HIS380A, HIS380B, HIS381A, HIS381B, HIS397A, HIS397B, HIS75A, HIS75B, ILE113A, ILE113B, ILE150A, ILE150B, ILE159B, ILE174A, ILE174B, ILE293A, ILE293B, ILE296A, ILE296B, ILE401A, ILE401B, ILE414A, ILE414B, ILE431A, ILE431B, ILE98A, ILE98B, LEU122A, LEU122B, LEU130A, LEU130B, LEU134A, LEU134B, LEU135A, LEU135B, LEU141A, LEU141B, LEU142A, LEU142B, LEU143A, LEU143B, LEU186A, LEU186B, LEU345A, LEU345B, LEU386A, LEU386B, LEU399A, LEU399B, LEU402A, LEU402B, LEU405A, LEU405B, LEU91A, LEU91B, LEU96A, LEU96B, LYS100A, LYS100B, LYS137A, LYS137B, LYS146A, LYS146B, LYS178A, LYS178B, LYS418A, LYS418B, LYS419A, LYS419B, LYS68A, LYS68B, LYS80A, LYS80B, MET126A, MET126B, MET172A, MET394A, MET47A, MET47B, MET64A, MET64B, PHE110A, PHE110B, PHE112A, PHE112B, PHE292A, PHE292B, PHE301A, PHE301B, PHE416A, PHE416B, PHE59A, PHE59B, PHE71B, PHE81A, PHE81B, PHE83A, PHE83B, PRO128A, PRO128B, PRO144A, PRO144B, PRO151A, PRO151B, PRO351A, PRO351B, PRO355A, PRO355B, PRO396A, PRO396B, PRO52A, PRO52B, PRO60A, PRO60B, PRO61A, PRO61B, PRO89A, PRO89B, SER129A, SER129B, SER149A, SER149B, SER179A, SER179B, SER181A, SER181B, SER182A, SER182B, SER350A, SER350B, SER400A, SER400B, SER411A, SER411B, SER76A, SER76B, SER88A, SER88B, SER93A, SER93B, THR114A, THR114B, THR192A, THR192B, THR294A, THR294B, THR346A, THR346B, THR347A, THR347B, THR352A, THR352B, THR50A, THR50B, THR63A, THR63B, THR77A, THR77B, TRP147A, TRP147B, TRP154A, TRP154B, TRP304A, TRP304B, TYR148A, TYR148B, TYR156A, TYR156B, TYR168A, TYR168B, TYR299A, TYR299B, TYR348A, TYR348B, TYR427A, TYR427B, TYR86A, TYR86B, TYR97A, TYR97B, VAL120A, VAL120B, VAL177A, VAL177B, VAL180A, VAL180B, VAL184A, VAL184B, VAL382A, VAL382B, VAL383A, VAL383B, VAL387A, VAL387B, VAL415A, VAL415B, VAL48A, VAL48B, VAL53A, VAL53B, VAL90A, VAL90B
• A-C: LEU143C, LYS374A
• A-D: ALA424A, ALA424D, ALA428A, ALA433A, ARG410A, ARG430A, ARG430D, ARG455A, ARG455D, ASN371D, ASN426A, ASN426D, ASP203A, ASP203D, ASP384A, ASP384D, ASP429A, ASP429D, GLN195A, GLN195D, GLN423A, GLN423D, GLU372A, GLU378A, GLU378D, GLY198A, GLY198D, GLY432A, GLY432D, HIS380A, HIS380D, ILE431A, ILE431D, LEU197A, LEU197D, LEU199A, LEU199D, LEU370A, LEU370D, LEU375A, LEU375D, LEU376A, LEU376D, LEU379A, LEU379D, LEU434A, LEU434D, LEU454A, LEU454D, LYS373A, LYS373D, LYS374A, LYS374D, LYS418A, LYS418D, LYS419A, LYS419D, LYS420A, LYS420D, MET194A, MET453A, PHE425A, PHE425D, PRO377A, PRO377D, SER196A, SER196D, SER200A, TYR427A, TYR427D, TYR69A, TYR69D, VAL382A, VAL382D, VAL383A, VAL383D, VAL421A, VAL421D, VAL422A, VAL422D, VAL73A
• C-D: ALA121C, ALA121D, ALA131C, ALA131D, ALA136C, ALA136D, ALA145C, ALA145D, ALA189C, ALA189D, ALA298C, ALA298D, ALA398C, ALA398D, ALA408C, ALA412C, ALA412D, ALA78C, ALA78D, ARG119C, ARG119D, ARG123C, ARG123D, ARG132C, ARG132D, ARG165C, ARG165D, ARG340C, ARG340D, ARG395C, ARG395D, ARG403C, ARG403D, ARG404C, ARG404D, ARG406C, ARG406D, ARG410C, ARG410D, ARG430C, ARG430D, ARG57C, ARG57D, ARG65C, ARG65D, ARG67C, ARG67D, ARG79C, ARG79D, ARG99C, ARG99D, ASN111C, ASN111D, ASP291C, ASP291D, ASP303C, ASP303D, ASP384C, ASP384D, ASP385C, ASP385D, ASP407C, ASP407D, ASP413C, ASP413D, ASP417C, ASP417D, ASP58C, ASP58D, ASP87C, ASP87D, CYS188C, CYS188D, CYS191C, CYS191D, CYS56C, CYS56D, GLN133C, GLN133D, GLN152C, GLN152D, GLN195C, GLN195D, GLN295C, GLN295D, GLN423C, GLN423D, GLN54C, GLN54D, GLU157D, GLU166C, GLU166D, GLU183C, GLU183D, GLU185C, GLU185D, GLU297C, GLU297D, GLU392C, GLU392D, GLU49C, GLU49D, GLU51C, GLU51D, GLU62C, GLU62D, GLU84C, GLU84D, GLU85C, GLU85D, GLU92C, GLU92D, GLU94C, GLU94D, GLU95C, GLU95D, GLY138C, GLY138D, GLY176C, GLY176D, GLY300C, GLY300D, GLY302C, GLY302D, GLY349C, GLY349D, GLY409C, GLY409D, GLY55C, GLY55D, GLY82C, GLY82D, HIS118C, HIS118D, HIS380C, HIS380D, HIS381C, HIS381D, HIS397C, HIS397D, HIS75C, HIS75D, ILE113C, ILE113D, ILE150C, ILE150D, ILE174C, ILE174D, ILE175D, ILE293C, ILE293D, ILE296C, ILE296D, ILE401C, ILE401D, ILE414C, ILE414D, ILE431C, ILE431D, ILE98C, ILE98D, LEU122C, LEU122D, LEU130C, LEU130D, LEU134C, LEU134D, LEU135C, LEU135D, LEU141C, LEU141D, LEU142C, LEU142D, LEU143C, LEU143D, LEU186C, LEU186D, LEU345C, LEU345D, LEU386C, LEU386D, LEU399C, LEU399D, LEU402C, LEU402D, LEU405C, LEU405D, LEU91C, LEU91D, LEU96C, LEU96D, LYS100C, LYS100D, LYS137C, LYS137D, LYS146C, LYS146D, LYS178C, LYS178D, LYS418C, LYS418D, LYS419C, LYS419D, LYS68C, LYS68D, LYS80C, LYS80D, MET109C, MET109D, MET126C, MET126D, MET172D, MET394C, MET394D, MET47C, MET47D, MET64C, MET64D, PHE110C, PHE110D, PHE112C, PHE112D, PHE292C, PHE292D, PHE301C, PHE301D, PHE416C, PHE416D, PHE59C, PHE59D, PHE71C, PHE71D, PHE81C, PHE81D, PHE83C, PHE83D, PRO128C, PRO128D, PRO144C, PRO144D, PRO151C, PRO151D, PRO351C, PRO351D, PRO355C, PRO355D, PRO396C, PRO396D, PRO52C, PRO52D, PRO60C, PRO60D, PRO61C, PRO61D, PRO89C, PRO89D, SER129C, SER129D, SER149C, SER149D, SER179C, SER179D, SER181C, SER181D, SER182C, SER182D, SER350C, SER350D, SER400C, SER400D, SER411C, SER411D, SER76C, SER76D, SER88C, SER88D, SER93C, SER93D, THR114C, THR114D, THR192C, THR192D, THR294C, THR294D, THR346C, THR346D, THR347C, THR347D, THR352C, THR352D, THR50C, THR50D, THR63C, THR63D, THR77C, THR77D, TRP147C, TRP147D, TRP154C, TRP154D, TRP304C, TRP304D, TYR148C, TYR148D, TYR156C, TYR156D, TYR168C, TYR168D, TYR299C, TYR299D, TYR348C, TYR348D, TYR427C, TYR427D, TYR86C, TYR86D, TYR97C, TYR97D, VAL120C, VAL120D, VAL177C, VAL177D, VAL180C, VAL180D, VAL184C, VAL184D, VAL382C, VAL382D, VAL383C, VAL383D, VAL387C, VAL387D, VAL415C, VAL415D, VAL48C, VAL48D, VAL53C, VAL53D, VAL90C, VAL90D
• C-E: LEU143E, LYS374C
• C-F: ALA424C, ALA424F, ALA428C, ALA433C, ARG410C, ARG430C, ARG430F, ARG455C, ARG455F, ASN371F, ASN426C, ASN426F, ASP203C, ASP384C, ASP384F, ASP429C, ASP429F, GLN195C, GLN195F, GLN423C, GLN423F, GLU372C, GLU378C, GLU378F, GLY198C, GLY198F, GLY432C, GLY432F, HIS380C, HIS380F, ILE431C, ILE431F, LEU197C, LEU197F, LEU199C, LEU199F, LEU370C, LEU370F, LEU375C, LEU375F, LEU376C, LEU376F, LEU379C, LEU379F, LEU434C, LEU434F, LEU454C, LEU454F, LYS373C, LYS373F, LYS374C, LYS374F, LYS418C, LYS419C, LYS419F, LYS420C, LYS420F, MET453C, PHE425C, PHE425F, PRO377C, PRO377F, SER196C, SER196F, SER200C, TYR427C, TYR427F, TYR69C, TYR69F, VAL382C, VAL382F, VAL383C, VAL383F, VAL421C, VAL421F, VAL422C, VAL422F, VAL73C
• E-F: ALA121E, ALA121F, ALA131E, ALA131F, ALA136E, ALA136F, ALA145E, ALA145F, ALA189E, ALA189F, ALA298E, ALA298F, ALA398E, ALA398F, ALA408E, ALA412E, ALA412F, ALA78E, ALA78F, ARG119E, ARG119F, ARG123E, ARG123F, ARG132E, ARG132F, ARG139F, ARG165E, ARG165F, ARG340E, ARG340F, ARG395E, ARG395F, ARG403E, ARG403F, ARG404E, ARG404F, ARG406E, ARG406F, ARG410E, ARG410F, ARG430E, ARG430F, ARG57E, ARG57F, ARG65E, ARG65F, ARG67E, ARG67F, ARG79E, ARG79F, ARG99E, ARG99F, ASN111E, ASN111F, ASP291E, ASP291F, ASP303E, ASP384E, ASP384F, ASP385E, ASP385F, ASP407E, ASP407F, ASP413E, ASP413F, ASP417E, ASP417F, ASP58E, ASP58F, ASP87E, ASP87F, CYS188E, CYS188F, CYS191E, CYS191F, CYS56E, CYS56F, GLN133E, GLN133F, GLN152E, GLN152F, GLN195E, GLN195F, GLN295E, GLN295F, GLN423E, GLN423F, GLN54E, GLN54F, GLU157F, GLU166E, GLU166F, GLU183E, GLU183F, GLU185E, GLU185F, GLU297E, GLU297F, GLU392E, GLU392F, GLU49E, GLU49F, GLU51E, GLU51F, GLU62E, GLU62F, GLU84E, GLU84F, GLU85E, GLU85F, GLU92E, GLU92F, GLU94E, GLU94F, GLU95E, GLU95F, GLY138E, GLY138F, GLY176E, GLY176F, GLY300E, GLY300F, GLY302E, GLY302F, GLY349E, GLY349F, GLY409E, GLY409F, GLY55E, GLY55F, GLY82E, GLY82F, HIS118E, HIS118F, HIS380E, HIS380F, HIS381E, HIS381F, HIS397E, HIS397F, HIS75E, HIS75F, ILE113E, ILE113F, ILE150E, ILE150F, ILE174E, ILE174F, ILE175E, ILE293E, ILE296E, ILE296F, ILE401E, ILE401F, ILE414E, ILE414F, ILE431E, ILE431F, ILE98E, ILE98F, LEU122E, LEU122F, LEU130E, LEU130F, LEU134E, LEU134F, LEU135E, LEU135F, LEU141E, LEU141F, LEU142E, LEU142F, LEU143E, LEU143F, LEU186E, LEU186F, LEU345E, LEU345F, LEU386E, LEU386F, LEU399E, LEU399F, LEU402E, LEU402F, LEU405E, LEU405F, LEU91E, LEU91F, LEU96E, LEU96F, LYS100E, LYS100F, LYS137E, LYS137F, LYS146E, LYS146F, LYS178E, LYS178F, LYS418E, LYS418F, LYS419E, LYS419F, LYS68E, LYS68F, LYS80E, LYS80F, MET109F, MET126E, MET126F, MET172E, MET394F, MET47E, MET47F, MET64E, MET64F, PHE110E, PHE110F, PHE112E, PHE112F, PHE292E, PHE292F, PHE301E, PHE301F, PHE416E, PHE416F, PHE59E, PHE59F, PHE71E, PHE81E, PHE81F, PHE83E, PHE83F, PRO128E, PRO128F, PRO144E, PRO144F, PRO151E, PRO151F, PRO351E, PRO351F, PRO355E, PRO355F, PRO389F, PRO396E, PRO396F, PRO52E, PRO52F, PRO60E, PRO60F, PRO61E, PRO61F, PRO89E, PRO89F, SER129E, SER129F, SER149E, SER149F, SER179E, SER179F, SER181E, SER181F, SER182E, SER182F, SER350E, SER350F, SER400E, SER400F, SER411E, SER411F, SER76E, SER76F, SER88E, SER88F, SER93E, SER93F, THR114E, THR114F, THR192E, THR192F, THR294E, THR294F, THR346E, THR346F, THR347E, THR347F, THR352E, THR352F, THR50E, THR50F, THR63E, THR63F, THR77E, THR77F, TRP147E, TRP147F, TRP154E, TRP154F, TRP304E, TRP304F, TYR148E, TYR148F, TYR156E, TYR156F, TYR168E, TYR168F, TYR299E, TYR299F, TYR348E, TYR348F, TYR427E, TYR427F, TYR86E, TYR86F, TYR97E, TYR97F, VAL120E, VAL120F, VAL177E, VAL177F, VAL180E, VAL180F, VAL184E, VAL184F, VAL382E, VAL382F, VAL383E, VAL383F, VAL387E, VAL387F, VAL415E, VAL415F, VAL48E, VAL48F, VAL53E, VAL53F, VAL90E, VAL90F