3GFG

structure of putative oxidoreductase yvaa from bacillus subtilis in triclinic form

• Total interactions analyzed: 66
• Total true interactions: 18
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 164
  • Norm. En. per Res.: -3.0917
• Hub Node: C(5)

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	-79.7433	-16.2041	-417.798	-513.7454	171	25	4	17290	0	44	46
A-H	0.0	10.2393	-48.6431	-38.4038	32	1	0	2053	0	7	11
B-G	0.0	8.586	-45.4604	-36.8744	34	0	0	2081	0	8	11
C-D	-71.8827	-14.3517	-401.661	-487.8955	164	23	4	17042	0	42	44
C-F	0.0	3.5907	-45.1693	-41.5786	33	1	0	2025	0	8	11
C-G	0.0	0.0	-3.5545	-3.5545	16	0	0	350	0	6	10
C-K	0.0	-2.7106	-89.5348	-92.2455	57	4	1	3615	0	21	16
C-L	0.0	2.9498	-2.1194	0.8304	12	0	0	314	0	6	10
D-E	0.0	5.6558	-48.7228	-43.0671	32	0	0	2115	0	8	10
D-G	0.0	-3.0936	-0.4919	-3.5855	4	0	0	47	0	5	5
D-K	0.0	-0.8314	-0.0108	-0.8422	4	0	0	9	0	3	2
D-L	0.0	0.0	-1.728	-1.728	9	0	0	228	0	5	5
E-F	-58.3485	-18.5182	-410.467	-487.3338	167	26	4	16700	0	41	43
F-I	0.0	1.1045	-30.4516	-29.3471	27	0	0	1446	0	21	23
F-J	-12.6313	-19.034	-92.0314	-123.6967	62	4	0	3659	3	20	23
G-H	-72.0889	-19.5993	-415.346	-507.0342	164	23	4	17016	1	44	43
I-J	-68.1848	-9.8348	-404.047	-482.0666	170	24	4	16913	0	43	45
K-L	-49.2727	-6.9595	-381.993	-438.2251	165	19	4	16159	0	41	44

Interface residues

• A-B: ALA203A, ALA203B, ALA206A, ALA206B, ALA210A, ALA210B, ALA215A, ALA215B, ALA232A, ALA232B, ALA242A, ALA242B, ARG163B, ARG165B, ARG212A, ARG212B, ARG246B, ARG294A, ARG294B, ARG352A, ARG352B, ASN155A, ASN155B, ASN162A, ASN162B, ASN207A, ASN207B, ASN214A, ASN214B, ASN243A, ASN243B, ASP153A, ASP153B, ASP219A, ASP219B, ASP226A, ASP226B, ASP253A, ASP253B, GLN158A, GLN158B, GLN211A, GLN211B, GLN231A, GLN231B, GLN248A, GLN248B, GLU167A, GLU213A, GLU213B, GLU285B, GLU350A, GLU350B, GLY228A, GLY228B, GLY236A, GLY236B, GLY237A, GLY237B, GLY244A, GLY244B, GLY251A, GLY251B, GLY295A, GLY295B, HIS222A, HIS222B, HIS250A, HIS250B, ILE154A, ILE154B, ILE233A, ILE233B, ILE239A, ILE239B, ILE249A, ILE249B, ILE257A, ILE257B, ILE293A, ILE293B, ILE354A, ILE354B, LEU151A, LEU151B, LEU223A, LEU223B, LEU225A, LEU225B, LEU230A, LEU230B, LEU234A, LEU290A, LEU290B, LYS202A, LYS202B, LYS229A, LYS229B, LYS252A, LYS252B, LYS258A, LYS258B, LYS289A, LYS289B, LYS298A, LYS298B, LYS299A, LYS299B, LYS351A, LYS351B, MET209A, MET209B, MET355A, MET355B, PHE221A, PHE221B, PHE256A, PHE256B, PHE286A, PHE286B, PRO166A, PRO166B, PRO241A, PRO241B, PRO245A, PRO245B, SER160A, SER160B, SER238A, SER238B, SER254A, SER254B, SER255A, SER255B, SER296A, SER296B, SER347A, SER347B, SER348A, SER348B, THR156A, THR156B, THR205A, THR205B, THR224A, THR224B, THR291A, THR291B, THR292A, THR292B, THR300A, THR300B, THR353A, THR353B, TYR157A, TYR157B, TYR164A, TYR164B, TYR220A, TYR220B, TYR227A, TYR227B, TYR235A, TYR235B, TYR247A, TYR247B, TYR259A, TYR259B, VAL204B, VAL240A, VAL240B
• A-H: ALA281A, ALA281H, ASP282A, ASP282H, GLU285A, GLU285H, GLU301A, GLU301H, GLY288A, GLY288H, ILE303A, ILE303H, LYS144A, LYS289A, LYS289H, PHE286A, PHE286H, PRO284A, PRO284H, PRO304A, PRO304H, SER278H, SER305A, SER305H, THR300A, THR300H, THR302A, THR302H, TYR287A, TYR287H, VAL283A, VAL283H
• B-G: ALA281B, ALA281G, ASP282B, ASP282G, GLU285B, GLU285G, GLU301B, GLU301G, GLY288B, GLY288G, ILE303B, ILE303G, LYS144B, LYS144G, LYS289B, LYS289G, PHE286B, PHE286G, PRO284B, PRO284G, PRO304B, PRO304G, SER278B, SER278G, SER305B, SER305G, THR300B, THR300G, THR302B, THR302G, TYR287B, TYR287G, VAL283B, VAL283G
• C-D: ALA203C, ALA203D, ALA206C, ALA206D, ALA210C, ALA210D, ALA232C, ALA232D, ALA242C, ALA242D, ARG163D, ARG165D, ARG212C, ARG212D, ARG294C, ARG294D, ARG352C, ARG352D, ASN155C, ASN155D, ASN162C, ASN162D, ASN207C, ASN207D, ASN214D, ASN243C, ASN243D, ASP153C, ASP153D, ASP219C, ASP226C, ASP226D, ASP253C, ASP253D, ASP297C, GLN158C, GLN158D, GLN211C, GLN211D, GLN231C, GLN231D, GLN248C, GLN248D, GLU152D, GLU213C, GLU213D, GLU350C, GLU350D, GLY228C, GLY228D, GLY236C, GLY236D, GLY237C, GLY237D, GLY244C, GLY244D, GLY251C, GLY251D, GLY295C, GLY295D, HIS222C, HIS222D, HIS250C, HIS250D, ILE154C, ILE154D, ILE233C, ILE233D, ILE239C, ILE239D, ILE249C, ILE249D, ILE257C, ILE257D, ILE293C, ILE293D, ILE354C, ILE354D, LEU151C, LEU151D, LEU223C, LEU223D, LEU225C, LEU225D, LEU230C, LEU230D, LEU290C, LEU290D, LYS202C, LYS202D, LYS229C, LYS229D, LYS252C, LYS252D, LYS258C, LYS258D, LYS289C, LYS289D, LYS298C, LYS298D, LYS299C, LYS299D, LYS351C, LYS351D, MET209C, MET209D, MET355C, MET355D, PHE221C, PHE221D, PHE256C, PHE256D, PHE286C, PHE286D, PRO166C, PRO166D, PRO241C, PRO241D, PRO245C, PRO245D, SER160C, SER160D, SER238C, SER238D, SER254C, SER254D, SER255C, SER255D, SER296C, SER296D, SER347C, SER347D, SER348C, SER348D, THR156C, THR156D, THR205C, THR205D, THR224C, THR224D, THR291C, THR291D, THR292C, THR292D, THR300C, THR300D, THR353C, THR353D, TYR157C, TYR157D, TYR164C, TYR164D, TYR220C, TYR220D, TYR227C, TYR227D, TYR235C, TYR235D, TYR247C, TYR247D, TYR259C, TYR259D, VAL240C, VAL240D
• C-F: ALA281C, ALA281F, ASP277F, ASP282C, ASP282F, GLU285C, GLU285F, GLU301C, GLU301F, GLY288C, GLY288F, ILE303C, ILE303F, LYS144C, LYS289C, LYS289F, PHE286C, PHE286F, PRO284C, PRO284F, PRO304C, PRO304F, SER278F, SER305C, SER305F, THR300C, THR300F, THR302C, THR302F, TYR287C, TYR287F, VAL283C, VAL283F
• C-G: ALA119G, ALA96G, ARG118G, ARG352C, GLN95G, GLU122G, GLU346C, GLU357C, ILE354C, LEU356C, LYS123G, LYS202C, MET355C, MET91G, THR115G, TYR87G
• C-K: ALA170C, ALA215C, ALA267K, ALA270K, ARG163K, ARG165K, ARG171C, ARG269K, ARG272K, ARG48C, ARG48K, ARG54K, ASN214C, ASP266K, ASP34K, ASP55K, GLN169C, GLU167C, GLU167K, GLU213C, GLU216C, GLU265K, GLU50K, GLU51C, GLU51K, GLY177C, GLY22C, GLY22K, GLY25K, GLY271K, GLY30K, HIS29K, LEU23C, LEU23K, LEU268K, LEU32K, LYS273K, LYS53K, PHE28K, PHE56K, PRO274K, PRO31K, PRO57K, SER24K, SER26K, SER47C, SER47K, THR178C, THR180C, TRP172C, TRP279K, TYR21K, VAL168C, VAL168K, VAL27K, VAL35K, VAL52K
• C-L: ALA210C, ARG294L, ASP297L, GLU350C, GLY295L, LYS298L, LYS349C, LYS351C, MET209C, SER296L, SER348C, VAL208C
• D-E: ALA281D, ALA281E, ASP282D, ASP282E, GLU285D, GLU285E, GLU301D, GLU301E, GLY288D, GLY288E, ILE303D, ILE303E, LYS144E, LYS289D, LYS289E, PHE286D, PHE286E, PRO284D, PRO284E, PRO304D, PRO304E, SER278D, SER305D, SER305E, THR300D, THR300E, THR302D, THR302E, TYR287D, TYR287E, VAL283D, VAL283E
• D-G: GLU122G, GLU350D, LYS349D, LYS351D
• D-K: GLU167K, GLY228D, LYS202D, LYS229D
• D-L: ALA203D, ARG294L, ASP226D, ASP297L, GLY228D, GLY295L, LYS202D, MET355D, SER296L
• E-F: ALA203E, ALA203F, ALA206E, ALA206F, ALA210E, ALA210F, ALA215F, ALA232E, ALA232F, ALA242E, ALA242F, ARG212E, ARG212F, ARG294E, ARG294F, ARG352E, ARG352F, ASN155E, ASN155F, ASN162E, ASN162F, ASN207E, ASN207F, ASN214E, ASN214F, ASN243E, ASN243F, ASP153E, ASP153F, ASP219E, ASP219F, ASP226E, ASP226F, ASP253E, ASP253F, ASP297E, GLN158E, GLN158F, GLN211E, GLN211F, GLN231E, GLN231F, GLN248E, GLN248F, GLU152F, GLU167E, GLU213E, GLU213F, GLU350E, GLU350F, GLY228E, GLY228F, GLY236E, GLY236F, GLY237E, GLY237F, GLY244E, GLY244F, GLY251E, GLY251F, GLY295E, GLY295F, HIS222E, HIS222F, HIS250E, HIS250F, ILE154E, ILE154F, ILE233E, ILE233F, ILE239E, ILE239F, ILE249E, ILE249F, ILE257E, ILE257F, ILE293E, ILE293F, ILE354E, ILE354F, LEU151E, LEU151F, LEU223E, LEU223F, LEU225E, LEU225F, LEU230E, LEU230F, LEU234E, LEU234F, LEU290E, LEU290F, LYS202E, LYS202F, LYS229E, LYS229F, LYS252E, LYS252F, LYS289E, LYS289F, LYS298E, LYS298F, LYS299E, LYS299F, LYS351E, LYS351F, MET209E, MET209F, MET355E, MET355F, PHE221E, PHE221F, PHE256E, PHE256F, PHE286E, PRO166E, PRO166F, PRO241E, PRO241F, PRO245E, PRO245F, SER160E, SER160F, SER238E, SER238F, SER254E, SER254F, SER255E, SER255F, SER296E, SER296F, SER347E, SER347F, SER348E, SER348F, THR156E, THR156F, THR205E, THR205F, THR224E, THR224F, THR291E, THR291F, THR292E, THR292F, THR300E, THR300F, THR353E, THR353F, TYR157E, TYR157F, TYR164E, TYR164F, TYR220E, TYR220F, TYR227E, TYR227F, TYR235E, TYR235F, TYR247E, TYR247F, TYR259E, TYR259F, VAL204E, VAL204F, VAL240E, VAL240F
• F-I: ALA119F, ALA92F, ARG118F, ARG294I, ASP253I, ASP297I, GLN95F, GLU111F, GLU112F, GLU122F, GLU66F, GLU88F, GLY295I, HIS89F, ILE293I, ILE94F, LEU116F, LEU65F, LEU85F, LYS123F, LYS252I, MET91F, SER296I, THR115F, THR292I, THR90F, TYR87F
• F-J: ALA108F, ALA110F, ALA170J, ALA210F, ALA215F, ALA215J, ALA343F, ALA344F, ARG171J, ARG48J, ASN207F, ASN214F, ASN214J, ASP219F, GLN169F, GLN169J, GLN211F, GLU111F, GLU112F, GLU167J, GLU213F, GLU213J, GLU216F, GLU216J, GLU342F, GLU346F, GLU350F, GLU50J, GLU51J, GLY113F, GLY177F, GLY181F, GLY22J, HIS63J, ILE341F, LEU183F, LYS349F, LYS351F, MET209F, MET345F, MET45J, PRO166J, SER347F, SER348F, SER47J, THR107F, THR109F, THR115F, THR178F, THR180F, THR217F, THR46J, THR49J, TRP172J, TYR164J, TYR184F, TYR220F, TYR87F, VAL168F, VAL168J, VAL208F, VAL218F
• G-H: ALA203G, ALA203H, ALA206G, ALA206H, ALA210G, ALA210H, ALA232G, ALA232H, ALA242G, ALA242H, ARG165G, ARG212G, ARG212H, ARG246H, ARG294G, ARG294H, ARG352G, ARG352H, ASN155G, ASN155H, ASN162G, ASN162H, ASN207G, ASN207H, ASN214G, ASN214H, ASN243G, ASN243H, ASP153G, ASP153H, ASP219G, ASP226G, ASP226H, ASP253G, ASP253H, ASP297G, GLN158G, GLN158H, GLN211G, GLN211H, GLN231G, GLN231H, GLN248G, GLN248H, GLU213G, GLU213H, GLU350G, GLU350H, GLY228G, GLY228H, GLY236G, GLY236H, GLY237G, GLY237H, GLY244G, GLY244H, GLY251G, GLY251H, GLY295G, GLY295H, HIS222G, HIS222H, HIS250G, HIS250H, ILE154G, ILE154H, ILE233G, ILE233H, ILE239G, ILE239H, ILE249G, ILE249H, ILE257G, ILE257H, ILE293G, ILE293H, ILE354G, ILE354H, LEU151G, LEU151H, LEU223G, LEU223H, LEU225G, LEU225H, LEU230G, LEU230H, LEU234G, LEU234H, LEU290G, LEU290H, LYS202G, LYS202H, LYS229G, LYS229H, LYS252G, LYS252H, LYS289G, LYS289H, LYS298G, LYS298H, LYS299G, LYS299H, LYS351G, LYS351H, MET209G, MET209H, MET355G, MET355H, PHE221G, PHE221H, PHE256G, PHE256H, PHE286H, PRO166G, PRO166H, PRO241G, PRO241H, PRO245G, PRO245H, SER160G, SER160H, SER238G, SER238H, SER254G, SER254H, SER255G, SER255H, SER296G, SER296H, SER347G, SER347H, SER348G, SER348H, THR156G, THR156H, THR205G, THR205H, THR224G, THR224H, THR291G, THR291H, THR292G, THR292H, THR300G, THR300H, THR353G, THR353H, TYR157G, TYR157H, TYR164G, TYR164H, TYR220G, TYR220H, TYR227G, TYR227H, TYR235G, TYR235H, TYR247G, TYR247H, TYR259G, TYR259H, VAL204H, VAL240G, VAL240H
• I-J: ALA203I, ALA203J, ALA206I, ALA206J, ALA210I, ALA210J, ALA232I, ALA232J, ALA242I, ALA242J, ARG163J, ARG165J, ARG212I, ARG212J, ARG294I, ARG294J, ARG352I, ARG352J, ASN155I, ASN155J, ASN162I, ASN162J, ASN207I, ASN207J, ASN214I, ASN214J, ASN243I, ASN243J, ASP153I, ASP153J, ASP219I, ASP219J, ASP226I, ASP226J, ASP253I, ASP253J, ASP297I, GLN158I, GLN158J, GLN211I, GLN211J, GLN231I, GLN231J, GLN248I, GLN248J, GLU167J, GLU213I, GLU213J, GLU285I, GLU285J, GLU350I, GLU350J, GLY228I, GLY228J, GLY236I, GLY236J, GLY237I, GLY237J, GLY244I, GLY244J, GLY251I, GLY251J, GLY295I, GLY295J, HIS222I, HIS222J, HIS250I, HIS250J, ILE154I, ILE154J, ILE233I, ILE233J, ILE239I, ILE239J, ILE249I, ILE249J, ILE257I, ILE257J, ILE293I, ILE293J, ILE354I, ILE354J, LEU151I, LEU151J, LEU223I, LEU223J, LEU225I, LEU225J, LEU230I, LEU230J, LEU234I, LEU290I, LEU290J, LYS202I, LYS202J, LYS229I, LYS229J, LYS252I, LYS252J, LYS258I, LYS289I, LYS289J, LYS298I, LYS298J, LYS299I, LYS299J, LYS351I, LYS351J, MET209I, MET209J, MET355I, MET355J, PHE221I, PHE221J, PHE256I, PHE256J, PHE286I, PHE286J, PRO166I, PRO166J, PRO241I, PRO241J, PRO245I, PRO245J, SER160I, SER160J, SER238I, SER238J, SER254I, SER254J, SER255I, SER255J, SER296I, SER296J, SER347I, SER347J, SER348I, SER348J, THR156I, THR156J, THR205I, THR205J, THR224I, THR224J, THR291I, THR291J, THR292I, THR292J, THR300I, THR300J, THR353I, THR353J, TYR157I, TYR157J, TYR164I, TYR164J, TYR220I, TYR220J, TYR227I, TYR227J, TYR235I, TYR235J, TYR247I, TYR247J, TYR259I, TYR259J, VAL204I, VAL204J, VAL240I, VAL240J
• K-L: ALA203K, ALA203L, ALA206K, ALA206L, ALA210K, ALA210L, ALA215L, ALA232K, ALA232L, ALA242K, ALA242L, ARG163L, ARG165L, ARG212K, ARG212L, ARG294K, ARG294L, ARG352K, ARG352L, ASN155K, ASN155L, ASN162K, ASN162L, ASN207K, ASN207L, ASN214L, ASN243K, ASN243L, ASP153K, ASP153L, ASP219L, ASP226K, ASP226L, ASP253K, ASP253L, GLN158K, GLN158L, GLN211K, GLN211L, GLN231K, GLN231L, GLN248K, GLN248L, GLU152L, GLU213K, GLU213L, GLU350K, GLU350L, GLY228K, GLY228L, GLY236K, GLY236L, GLY237K, GLY237L, GLY244K, GLY244L, GLY251K, GLY251L, GLY295K, GLY295L, HIS222K, HIS222L, HIS250K, HIS250L, ILE154K, ILE154L, ILE233K, ILE233L, ILE239K, ILE239L, ILE249K, ILE249L, ILE257K, ILE257L, ILE293K, ILE293L, ILE354K, ILE354L, LEU151K, LEU151L, LEU223K, LEU223L, LEU225K, LEU225L, LEU230K, LEU230L, LEU290K, LEU290L, LYS202K, LYS202L, LYS229K, LYS229L, LYS252K, LYS252L, LYS289K, LYS289L, LYS298K, LYS298L, LYS299K, LYS299L, LYS351K, LYS351L, MET209K, MET209L, MET355K, MET355L, PHE221K, PHE221L, PHE256K, PHE256L, PHE286K, PHE286L, PRO166K, PRO166L, PRO241K, PRO241L, PRO245K, PRO245L, SER160K, SER160L, SER238K, SER238L, SER254K, SER254L, SER255K, SER255L, SER296K, SER296L, SER347K, SER347L, SER348K, SER348L, THR156K, THR156L, THR205K, THR205L, THR224K, THR224L, THR291K, THR291L, THR292K, THR292L, THR300K, THR300L, THR353K, THR353L, TYR157K, TYR157L, TYR164K, TYR164L, TYR220K, TYR220L, TYR227K, TYR227L, TYR235K, TYR235L, TYR247K, TYR247L, TYR259K, TYR259L, VAL204K, VAL204L, VAL208L, VAL240K, VAL240L