1QHB

vanadium bromoperoxidase from red alga corallina officinalis

• Total interactions analyzed: 15
• Total true interactions: 13
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 436
  • Norm. En. per Res.: -4.7159
• Hub Node: A(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
A-B	0.0	-4.6487	-11.6598	-16.3086	13	0	0	629	0	10	10
A-C	0.0	2.7569	-15.7211	-12.9642	14	1	0	698	1	10	10
A-E	-28.8768	37.809	-103.375	-94.4428	60	3	5	4777	0	11	11
A-F	-40.4402	-24.8536	-191.888	-257.1818	115	7	4	8652	4	16	28
B-C	0.0	2.3325	-15.7476	-13.4151	14	0	0	715	0	10	10
B-D	-29.8314	34.9885	-111.699	-106.5419	62	2	5	4885	0	11	11
B-F	-10.0875	0.0	-25.3098	-35.3973	24	2	0	1302	0	0	2
C-D	-42.6531	-28.3742	-196.752	-267.7793	115	8	4	8721	4	16	28
C-E	-13.2009	0.0	-30.8453	-44.0462	25	2	0	1425	0	0	2
C-F	-407.498	-144.535	-1504.12	-2056.153	436	67	41	58404	28	115	118
D-E	0.0	2.2185	-17.0952	-14.8767	16	0	0	735	0	10	10
D-F	0.0	1.5599	-16.3295	-14.7696	15	1	0	710	1	10	10
E-F	0.0	2.3183	-17.4096	-15.0913	15	0	0	749	1	10	10

Interface residues

• A-B: ALA81B, ALA91B, ALA92B, ARG80B, ASP86A, ASP86B, GLU87A, GLU87B, GLU89B, ILE90B, LYS88A, LYS88B, SER84B
• A-C: ALA81A, ALA91A, ALA92A, ARG80A, ASP86A, ASP86C, GLU87A, GLU87C, GLU89A, GLU89C, ILE90A, LYS88A, LYS88C, SER84A
• A-E: ALA12A, ALA12E, ALA14A, ALA21A, ALA21E, ALA22A, ALA26A, ALA28A, ALA5A, ALA5E, ARG11A, ARG11E, ARG19A, ASN581A, ASN581E, ASN7A, ASN7E, ASP17A, ASP6A, ASP6E, GLN574A, GLN574E, GLN595E, GLN9A, GLN9E, GLU24A, GLU572E, GLU573E, GLU580A, GLY2A, GLY2E, GLY579A, ILE3A, ILE3E, ILE594E, ILE596E, LEU25A, LEU25E, LEU576A, LEU576E, LEU8A, LEU8E, LYS13A, LYS13E, PHE16A, PHE582E, PHE583E, PRO4A, PRO4E, SER10A, SER10E, SER15A, SER575A, SER575E, THR18A, THR577A, THR577E, TYR578A, TYR578E, VAL20A
• A-F: ALA202F, ALA28A, ALA28F, ALA31A, ALA36A, ALA502F, ALA531F, ALA77A, ALA81A, ARG212F, ARG214F, ARG29F, ARG403A, ARG44A, ARG80A, ASN356F, ASN37A, ASN400A, ASN45A, ASN503F, ASN581F, ASN585F, ASN83A, ASP206A, ASP206F, ASP354F, ASP366F, ASP501F, ASP507F, ASP50A, ASP590F, ASP71A, ASP73A, ASP74A, ASP86A, GLN360F, GLN361F, GLN397A, GLN505F, GLN595F, GLU24F, GLU362F, GLU39A, GLU40A, GLU572F, GLU580F, GLU89A, GLY205A, GLY205F, GLY30A, GLY38A, GLY49A, GLY591F, GLY85A, HIS402A, ILE211A, ILE211F, ILE401A, ILE568F, ILE594F, ILE596F, ILE82A, LEU130A, LEU204A, LEU204F, LEU27A, LEU357F, LEU365F, LEU41A, LEU42A, LEU586F, LEU76A, LYS203A, LYS203F, LYS497F, LYS588F, PHE353F, PHE359F, PHE35A, PHE399A, PHE500F, PHE504F, PHE53A, PHE582F, PHE583F, PHE584F, PHE75A, PHE78A, PRO145A, PRO146A, PRO201F, PRO207A, PRO208A, PRO208F, PRO33A, PRO352F, PRO355F, PRO358F, PRO51A, PRO527F, PRO587F, PRO72A, SER34A, SER46A, SER84A, THR48A, THR529F, THR592F, THR593F, TYR396A, TYR43A, VAL149A, VAL351F, VAL530F, VAL79A
• B-C: ALA81C, ALA91C, ALA92C, ARG80C, ASP86B, ASP86C, GLU87B, GLU87C, GLU89B, GLU89C, ILE90C, LYS88B, LYS88C, SER84C
• B-D: ALA12B, ALA12D, ALA14D, ALA21B, ALA21D, ALA22D, ALA26D, ALA28D, ALA5B, ALA5D, ARG11B, ARG11D, ARG19D, ASN581B, ASN581D, ASN7B, ASN7D, ASP17D, ASP6B, ASP6D, GLN574B, GLN574D, GLN595B, GLN9B, GLN9D, GLU24D, GLU572B, GLU572D, GLU573B, GLU573D, GLU580D, GLY2B, GLY2D, GLY579D, ILE3B, ILE3D, ILE594B, ILE596B, LEU25B, LEU25D, LEU576B, LEU576D, LEU8B, LEU8D, LYS13B, LYS13D, PHE16D, PHE582B, PHE583B, PRO4B, PRO4D, SER10B, SER10D, SER15D, SER575B, SER575D, THR18D, THR577B, THR577D, TYR578B, TYR578D, VAL20D
• B-F: ALA31B, ALA5F, ARG403B, ASN400B, ASN7F, ASN83B, ASP138B, ASP6F, GLN140B, GLY129B, GLY2F, ILE3F, ILE401B, ILE82B, LEU130B, LEU8F, PHE132B, PRO33B, PRO4F, SER141B, SER34B, SER84B, TYR396B, VAL32B
• C-D: ALA202C, ALA28C, ALA28D, ALA31D, ALA36D, ALA502C, ALA531C, ALA77D, ALA81D, ARG212C, ARG214C, ARG29C, ARG403D, ARG44D, ARG80D, ASN356C, ASN37D, ASN400D, ASN45D, ASN503C, ASN581C, ASN585C, ASN83D, ASP206C, ASP206D, ASP354C, ASP366C, ASP501C, ASP507C, ASP50D, ASP590C, ASP71D, ASP73D, ASP74D, ASP86D, GLN360C, GLN361C, GLN397D, GLN505C, GLN595C, GLU24C, GLU362C, GLU39D, GLU40D, GLU572C, GLU580C, GLU89D, GLY205C, GLY205D, GLY30D, GLY38D, GLY49D, GLY591C, GLY85D, HIS402D, ILE211C, ILE211D, ILE401D, ILE568C, ILE594C, ILE596C, ILE82D, LEU130D, LEU204C, LEU204D, LEU27D, LEU357C, LEU365C, LEU41D, LEU42D, LEU586C, LEU76D, LYS203C, LYS203D, LYS588C, PHE353C, PHE359C, PHE35D, PHE399D, PHE500C, PHE504C, PHE53D, PHE582C, PHE583C, PHE584C, PHE75D, PHE78D, PRO145D, PRO146D, PRO201C, PRO207C, PRO207D, PRO208C, PRO208D, PRO33D, PRO352C, PRO355C, PRO358C, PRO51D, PRO527C, PRO587C, PRO72D, SER34D, SER46D, SER84D, THR48D, THR529C, THR592C, THR593C, TYR396D, TYR43D, VAL149D, VAL351C, VAL530C, VAL79D
• C-E: ALA139E, ALA31E, ALA5C, ARG403E, ASN400E, ASN7C, ASN83E, ASP138E, ASP6C, GLN140E, GLY129E, GLY2C, ILE3C, ILE401E, ILE82E, LEU130E, LEU8C, PHE132E, PRO33E, PRO4C, SER141E, SER34E, SER84E, TYR396E, VAL32E
• C-F: ALA113C, ALA113F, ALA128C, ALA128F, ALA12C, ALA12F, ALA139C, ALA139F, ALA14C, ALA14F, ALA21C, ALA21F, ALA22C, ALA22F, ALA23C, ALA23F, ALA251C, ALA251F, ALA263C, ALA263F, ALA264C, ALA264F, ALA26C, ALA26F, ALA272C, ALA272F, ALA285C, ALA285F, ALA28C, ALA28F, ALA304C, ALA304F, ALA317C, ALA317F, ALA31C, ALA31F, ALA327C, ALA327F, ALA338C, ALA338F, ALA342C, ALA342F, ALA377C, ALA377F, ALA387C, ALA387F, ALA390C, ALA390F, ALA393C, ALA393F, ALA472C, ALA472F, ALA81C, ALA81F, ALA91C, ALA91F, ALA92C, ALA92F, ARG11C, ARG11F, ARG121C, ARG121F, ARG19C, ARG19F, ARG281C, ARG281F, ARG283C, ARG283F, ARG289C, ARG289F, ARG29C, ARG29F, ARG308C, ARG308F, ARG318C, ARG318F, ARG389C, ARG389F, ARG395C, ARG395F, ARG99C, ARG99F, ASN114C, ASN114F, ASN125C, ASN125F, ASN255C, ASN255F, ASN262C, ASN262F, ASN341C, ASN341F, ASN367C, ASN367F, ASN373C, ASN373F, ASN400C, ASN400F, ASN581C, ASN581F, ASP117C, ASP117F, ASP133C, ASP133F, ASP138C, ASP138F, ASP17C, ASP17F, ASP265C, ASP265F, ASP306C, ASP306F, ASP325C, ASP325F, ASP333C, ASP333F, ASP363C, ASP363F, ASP366C, ASP366F, ASP369C, ASP369F, ASP86C, ASP86F, CYS343C, CYS343F, GLN140C, GLN140F, GLN247C, GLN247F, GLN280C, GLN280F, GLN360C, GLN360F, GLN361C, GLN361F, GLN368C, GLN368F, GLN574C, GLN574F, GLN9C, GLN9F, GLU119C, GLU119F, GLU124C, GLU124F, GLU135C, GLU135F, GLU24C, GLU24F, GLU266C, GLU266F, GLU270C, GLU270F, GLU311C, GLU311F, GLU314C, GLU314F, GLU337C, GLU337F, GLU362C, GLU362F, GLU385C, GLU385F, GLU473C, GLU473F, GLU572C, GLU572F, GLU573C, GLU573F, GLU580C, GLU580F, GLU87C, GLU87F, GLU89C, GLU89F, GLY104C, GLY104F, GLY122C, GLY122F, GLY129C, GLY129F, GLY136C, GLY136F, GLY249C, GLY249F, GLY254C, GLY254F, GLY269C, GLY269F, GLY274C, GLY274F, GLY309C, GLY309F, GLY30C, GLY30F, GLY316C, GLY316F, GLY375C, GLY375F, GLY484C, GLY484F, GLY569C, GLY569F, GLY579C, GLY579F, GLY85C, GLY85F, GLY96C, GLY96F, HIS331C, HIS331F, HIS378C, HIS378F, HIS478C, HIS478F, HIS485C, HIS485F, ILE241C, ILE241F, ILE242C, ILE248C, ILE248F, ILE271C, ILE271F, ILE276C, ILE276F, ILE278C, ILE278F, ILE284C, ILE284F, ILE320C, ILE320F, ILE570C, ILE570F, ILE82C, ILE82F, ILE90C, ILE90F, LEU105C, LEU105F, LEU112C, LEU112F, LEU116C, LEU116F, LEU118C, LEU118F, LEU130C, LEU130F, LEU134C, LEU134F, LEU258C, LEU258F, LEU25C, LEU25F, LEU27C, LEU27F, LEU319C, LEU319F, LEU326C, LEU326F, LEU335C, LEU335F, LEU340C, LEU340F, LEU344C, LEU344F, LEU347C, LEU347F, LEU365C, LEU365F, LEU380C, LEU380F, LEU382C, LEU382F, LEU391C, LEU391F, LEU571C, LEU571F, LEU576C, LEU576F, LEU61C, LEU61F, LEU93C, LEU93F, LEU95C, LEU95F, LYS13C, LYS13F, LYS256C, LYS256F, LYS364C, LYS364F, LYS392C, LYS392F, LYS398C, LYS398F, LYS88C, LYS88F, PHE132C, PHE132F, PHE16C, PHE16F, PHE307C, PHE307F, PHE310C, PHE310F, PHE332C, PHE332F, PHE359C, PHE359F, PHE371C, PHE371F, PHE374C, PHE374F, PHE399C, PHE399F, PHE477C, PHE477F, PHE582C, PHE582F, PHE78C, PHE78F, PRO106C, PRO106F, PRO137C, PRO137F, PRO261C, PRO261F, PRO315C, PRO315F, PRO358C, PRO358F, PRO476C, PRO476F, SER10C, SER10F, SER115C, SER115F, SER126C, SER126F, SER127C, SER127F, SER141C, SER141F, SER15C, SER15F, SER245C, SER245F, SER250C, SER250F, SER260C, SER260F, SER275C, SER275F, SER279C, SER279F, SER312C, SER312F, SER334C, SER334F, SER376C, SER376F, SER381C, SER381F, SER575C, SER575F, SER84C, SER84F, THR103C, THR103F, THR131C, THR131F, THR18C, THR18F, THR252C, THR252F, THR257C, THR257F, THR277C, THR277F, THR286C, THR286F, THR328C, THR328F, THR384C, THR384F, THR388C, THR388F, THR577C, THR577F, THR94C, THR94F, TRP123C, TRP123F, TRP329C, TRP329F, TYR273C, TYR273F, TYR313C, TYR313F, TYR336C, TYR336F, TYR339C, TYR339F, TYR396C, TYR396F, TYR578C, TYR578F, VAL120C, VAL120F, VAL20C, VAL20F, VAL253C, VAL253F, VAL259C, VAL259F, VAL282C, VAL282F, VAL330C, VAL330F, VAL370C, VAL370F, VAL372C, VAL372F, VAL379C, VAL379F, VAL383C, VAL383F, VAL386C, VAL386F, VAL394C, VAL394F, VAL487F, VAL488C, VAL488F
• D-E: ALA81E, ALA91D, ALA91E, ALA92E, ARG80E, ASP86D, ASP86E, GLU87D, GLU87E, GLU89D, GLU89E, ILE90E, LEU93E, LYS88D, LYS88E, SER84E
• D-F: ALA81D, ALA91D, ALA91F, ALA92D, ARG80D, ASP86D, ASP86F, GLU87D, GLU87F, GLU89D, GLU89F, ILE90D, LYS88D, LYS88F, SER84D
• E-F: ALA81F, ALA91E, ALA91F, ALA92F, ARG80F, ASP86E, ASP86F, GLU87E, GLU87F, GLU89E, GLU89F, ILE90F, LYS88E, LYS88F, SER84F