3TUZ

inward facing conformations of the metni methionine abc transporter: cy5 semet soak crystal form

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 111
  • Norm. En. per Res.: -3.9683
• 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	-3.8016	0.0	-320.392	-324.1936	148	10	27	15333	0	2	0
A-C	-29.3678	-31.5552	-239.578	-300.5009	88	15	5	9816	3	16	14
B-D	-56.9688	-3.4207	-219.5	-279.8895	88	17	5	9567	3	17	16
B-G	0.0	0.0	-0.0114	-0.0114	2	0	0	10	0	2	0
C-D	-120.2807	10.4632	-330.659	-440.4764	111	24	7	13046	5	51	35
C-F	0.0	0.0	-0.0057	-0.0057	2	0	0	5	0	0	0
D-G	-5.9617	3.6202	-47.0436	-49.3851	39	4	1	2546	0	19	14
D-H	0.0	-13.8358	-3.3989	-17.2347	6	0	0	143	0	5	5
E-F	0.0	0.0	-369.733	-369.733	150	23	30	16791	0	0	0
E-G	-57.4359	-8.9285	-155.277	-221.6414	83	19	5	8826	3	17	11
F-H	-24.454	-20.1259	-175.726	-220.306	84	24	5	8938	3	15	13
G-H	-71.0164	25.175	-360.419	-406.2604	121	38	6	13408	6	48	39

Interface residues

• A-B: ALA162A, ALA162B, ALA166A, ALA166B, ALA169A, ALA169B, ALA186A, ALA186B, ALA58A, ALA58B, ARG106B, ARG54A, ARG54B, ARG64A, ARG64B, ARG80A, ARG80B, ASN185A, ASN185B, ASN190A, ASN190B, ASN61A, ASN61B, GLN174A, GLN174B, GLN178A, GLN178B, GLN204A, GLN204B, GLY159A, GLY159B, GLY164A, GLY164B, GLY165A, GLY165B, GLY168A, GLY168B, GLY173A, GLY173B, GLY176A, GLY176B, GLY180A, GLY180B, ILE152A, ILE152B, ILE155A, ILE155B, ILE175A, ILE175B, ILE182A, ILE182B, ILE198A, ILE198B, ILE203A, ILE203B, ILE59A, ILE59B, ILE62A, ILE62B, ILE66A, ILE66B, ILE69A, ILE69B, ILE70A, ILE70B, ILE76A, ILE76B, ILE87A, ILE87B, LEU157A, LEU157B, LEU172A, LEU172B, LEU193A, LEU193B, LEU195A, LEU195B, LEU196A, LEU196B, LEU199A, LEU199B, LEU202B, LEU71A, LEU71B, LEU72A, LEU72B, MET163A, MET163B, MET189A, MET189B, MET75A, MET75B, PHE103B, PHE205B, PHE63A, PHE63B, PHE68A, PHE68B, PHE78A, PRO67A, PRO67B, PRO77A, PRO77B, SER161A, SER161B, SER57A, SER57B, SER65A, SER65B, SER86A, SER86B, THR156A, THR156B, THR16A, THR16B, THR191A, THR191B, TRP74A, TRP74B, TYR160A, TYR160B, TYR177A, TYR177B, TYR179A, TYR179B, TYR181A, TYR181B, TYR184A, TYR184B, TYR201A, TYR201B, VAL158A, VAL158B, VAL167A, VAL167B, VAL188B, VAL192A, VAL192B, VAL194A, VAL194B, VAL197A, VAL197B, VAL200A, VAL200B, VAL60A, VAL60B, VAL73A, VAL73B
• A-C: ALA104C, ALA122A, ALA125A, ALA128A, ALA142A, ALA150C, ALA154C, ALA156C, ALA213A, ALA80C, ARG124A, ARG135A, ARG153C, ARG216A, ARG49C, ARG56C, ARG81C, ARG82C, ARG97C, ASN102C, ASN111C, ASN140C, ASN52C, ASN92C, ASP110C, ASP165C, GLN132A, GLN83C, GLN89C, GLU108C, GLU121A, GLU141A, GLU55C, GLU74C, GLY101C, GLY118A, GLY127A, GLY85C, HIS90C, ILE115A, ILE120A, ILE133A, ILE46A, ILE84C, ILE87C, LEU105C, LEU107C, LEU109C, LEU119A, LEU138A, LEU139A, LEU143A, LEU163C, LEU53C, LEU54C, LEU77C, LEU93C, LEU94C, LYS136A, LYS79C, MET126A, MET86C, PHE88C, PHE91C, PRO106C, PRO116A, PRO130A, PRO138C, PRO140A, PRO144A, PRO159C, SER123A, SER136C, SER139C, SER157C, SER45C, SER75C, SER95C, SER96C, THR112C, THR117A, THR129A, THR215A, THR78C, THR98C, TYR137C, VAL137A, VAL214A
• B-D: ALA104D, ALA122B, ALA125B, ALA128B, ALA142B, ALA150D, ALA154D, ALA156D, ALA80D, ARG124B, ARG135B, ARG153D, ARG216B, ARG49D, ARG56D, ARG81D, ARG82D, ARG97D, ASN102D, ASN111D, ASN140D, ASN52D, ASN92D, ASP110D, ASP165D, GLN132B, GLN13D, GLN83D, GLN89D, GLU108D, GLU121B, GLU141B, GLU55D, GLU74D, GLY118B, GLY127B, GLY44B, GLY85D, HIS90D, ILE115B, ILE120B, ILE133B, ILE84D, ILE87D, LEU105D, LEU107D, LEU109D, LEU119B, LEU138B, LEU139B, LEU143B, LEU163D, LEU53D, LEU54D, LEU77D, LEU93D, LEU94D, LYS114D, LYS136B, LYS79D, MET126B, MET131B, MET86D, PHE88D, PHE91D, PRO106D, PRO116B, PRO130B, PRO138D, PRO140B, PRO144B, SER123B, SER136D, SER139D, SER157D, SER45D, SER75D, SER95D, SER96D, THR117B, THR129B, THR215B, THR78D, THR98D, TYR137D, VAL103D, VAL137B, VAL214B
• B-G: LYS136B, THR263G
• C-D: ALA280C, ALA280D, ALA287C, ALA287D, ALA299C, ALA299D, ARG177C, ARG177D, ARG206C, ARG206D, ARG256C, ARG256D, ARG288C, ARG288D, ARG289C, ARG289D, ASN291C, ASN291D, ASN293C, ASN293D, ASN294C, ASN294D, ASN295C, ASN295D, ASP248C, ASP248D, ASP252C, ASP252D, ASP279C, ASP279D, ASP302C, ASP302D, ASP322D, GLN300C, GLN300D, GLU181C, GLU181D, GLU251C, GLU251D, GLU255C, GLU285C, GLU285D, GLU315C, GLU315D, GLY310C, GLY310D, GLY318C, GLY318D, HIS246C, HIS246D, HIS317C, HIS317D, ILE249C, ILE249D, ILE296C, ILE296D, ILE297C, ILE297D, ILE311C, ILE311D, LEU245C, LEU245D, LEU247C, LEU247D, LEU271D, LEU282C, LEU282D, LEU283C, LEU283D, LEU313C, LEU313D, LYS205C, LYS205D, LYS308C, LYS308D, MET301C, MET301D, MET312C, MET312D, MET316C, MET316D, PHE273C, PHE273D, PHE290C, PHE290D, PHE309D, PRO250C, PRO250D, PRO281C, PRO281D, SER277C, SER277D, SER284C, SER284D, SER298C, SER298D, THR244C, THR244D, THR286C, THR286D, THR314C, THR314D, TYR253C, TYR253D, TYR303C, TYR303D, VAL266D, VAL278C, VAL278D, VAL292C, VAL292D
• C-F: PHE205F, THR263C
• D-G: ALA104D, ALA259G, ARG119D, ARG256G, ARG97D, ASN102D, ASP115D, ASP135D, ASP252G, ASP264G, CYS265G, GLN254G, GLN258G, GLU108D, GLU116D, GLU251G, GLU255G, GLU260G, GLY101D, GLY341G, HIS134D, LEU257G, LYS114D, LYS118D, PHE100D, PHE262G, PRO113D, PRO261G, SER136D, SER96D, THR122D, THR263G, THR98D, TYR137D, TYR253G, TYR342G, VAL117D, VAL343G, VAL99D
• D-H: ARG188D, ARG189D, ASP132H, GLY131H, LEU190D, LYS133H
• E-F: ALA162E, ALA162F, ALA166E, ALA166F, ALA169E, ALA169F, ALA186E, ALA186F, ALA58E, ALA58F, ARG106E, ARG106F, ARG54F, ARG64E, ARG64F, ARG80E, ARG80F, ASN185E, ASN185F, ASN190E, ASN190F, ASN61E, ASN61F, GLN174E, GLN174F, GLN178E, GLN178F, GLN204E, GLN204F, GLY159E, GLY159F, GLY164E, GLY164F, GLY165E, GLY165F, GLY168E, GLY168F, GLY171E, GLY171F, GLY173E, GLY173F, GLY176E, GLY176F, GLY180E, GLY180F, GLY183F, ILE152E, ILE152F, ILE155E, ILE155F, ILE175E, ILE175F, ILE182E, ILE182F, ILE198E, ILE198F, ILE59E, ILE59F, ILE62E, ILE62F, ILE66E, ILE66F, ILE69E, ILE69F, ILE70E, ILE70F, ILE76E, ILE76F, ILE87E, ILE87F, LEU157E, LEU157F, LEU172E, LEU172F, LEU193E, LEU193F, LEU195E, LEU195F, LEU196E, LEU196F, LEU199E, LEU199F, LEU202E, LEU71E, LEU71F, LEU72E, LEU72F, MET163E, MET163F, MET189E, MET189F, MET75E, MET75F, PHE103E, PHE103F, PHE63E, PHE63F, PHE68E, PHE68F, PHE78F, PRO67E, PRO67F, PRO77E, PRO77F, SER161E, SER161F, SER57E, SER57F, SER65E, SER65F, SER86E, SER86F, THR156E, THR156F, THR16E, THR16F, THR191E, THR191F, TRP74E, TRP74F, TYR160E, TYR160F, TYR177E, TYR177F, TYR179E, TYR179F, TYR181E, TYR181F, TYR184E, TYR184F, TYR201E, TYR201F, VAL158E, VAL158F, VAL167E, VAL167F, VAL188E, VAL188F, VAL192E, VAL192F, VAL194E, VAL194F, VAL197E, VAL197F, VAL200E, VAL200F, VAL60E, VAL60F, VAL73E, VAL73F
• E-G: ALA104G, ALA122E, ALA125E, ALA128E, ALA142E, ALA150G, ALA154G, ALA156G, ALA80G, ARG124E, ARG135E, ARG153G, ARG49G, ARG56G, ARG81G, ARG82G, ARG97G, ASN102G, ASN111G, ASN52G, ASN92G, ASP110G, ASP165G, GLN132E, GLN13G, GLN83G, GLU108G, GLU121E, GLU141E, GLU55G, GLU74G, GLY118E, GLY127E, GLY85G, HIS90G, ILE115E, ILE120E, ILE133E, ILE84G, ILE87G, LEU105G, LEU107G, LEU109G, LEU119E, LEU138E, LEU139E, LEU143E, LEU163G, LEU53G, LEU54G, LEU77G, LEU93G, LEU94G, LYS114G, LYS136E, LYS79G, MET126E, MET131E, MET86G, PHE88G, PHE91G, PRO106G, PRO116E, PRO130E, PRO138G, PRO140E, PRO144E, PRO43E, SER123E, SER139G, SER157G, SER45G, SER75G, SER95G, SER96G, THR117E, THR129E, THR215E, THR78G, TYR137G, VAL103G, VAL137E, VAL214E
• F-H: ALA104H, ALA122F, ALA125F, ALA128F, ALA142F, ALA150H, ALA154H, ALA156H, ALA80H, ARG124F, ARG135F, ARG153H, ARG216F, ARG49H, ARG56H, ARG81H, ARG82H, ARG97H, ASN102H, ASN111H, ASN140H, ASN52H, ASN92H, ASP110H, ASP165H, GLN132F, GLN83H, GLU108H, GLU121F, GLU141F, GLU55H, GLU74H, GLY118F, GLY127F, GLY85H, HIS90H, ILE115F, ILE120F, ILE133F, ILE46F, ILE47F, ILE84H, ILE87H, LEU105H, LEU107H, LEU109H, LEU119F, LEU138F, LEU139F, LEU143F, LEU163H, LEU53H, LEU54H, LEU77H, LEU93H, LEU94H, LYS136F, LYS79H, MET126F, MET86H, PHE88H, PHE91H, PRO106H, PRO116F, PRO130F, PRO138H, PRO140F, PRO144F, SER123F, SER139H, SER157H, SER45H, SER75H, SER95H, SER96H, THR117F, THR129F, THR215F, THR78H, THR98H, TYR137H, VAL103H, VAL137F, VAL214F
• G-H: ALA174H, ALA280G, ALA280H, ALA287G, ALA287H, ALA299G, ALA299H, ARG177G, ARG177H, ARG206G, ARG206H, ARG256G, ARG256H, ARG288G, ARG288H, ARG289G, ARG289H, ASN291G, ASN291H, ASN293G, ASN293H, ASN294G, ASN294H, ASN295G, ASN295H, ASP248G, ASP248H, ASP252G, ASP252H, ASP279G, ASP279H, ASP302G, ASP302H, GLN242H, GLN254G, GLN254H, GLN276G, GLN276H, GLN300G, GLN300H, GLU181H, GLU251G, GLU251H, GLU255G, GLU285G, GLU285H, GLU315G, GLU315H, GLY306G, GLY310G, GLY310H, GLY318G, HIS246G, HIS246H, HIS317G, HIS317H, ILE249G, ILE249H, ILE296G, ILE296H, ILE297G, ILE297H, ILE311G, ILE311H, LEU245G, LEU245H, LEU247G, LEU247H, LEU271H, LEU282G, LEU282H, LEU283G, LEU283H, LEU313G, LEU313H, LYS205H, LYS308G, LYS308H, MET268H, MET301G, MET301H, MET312G, MET312H, MET316G, MET316H, PHE273G, PHE273H, PHE290G, PHE290H, PHE309G, PHE309H, PRO250G, PRO250H, PRO281G, PRO281H, SER178H, SER243G, SER277G, SER277H, SER284G, SER284H, SER298G, SER298H, THR244G, THR244H, THR286G, THR286H, THR314G, THR314H, TRP329G, TRP329H, TYR253G, TYR253H, TYR303G, TYR303H, VAL266G, VAL266H, VAL278G, VAL278H, VAL292G, VAL292H