3MUU

crystal structure of the sindbis virus e2-e1 heterodimer at low ph

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 21
  • Norm. En. per Res.: -1.7065
• 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	-2.9856	47.7052	-115.587	-70.8674	114	8	2	6663	0	24	40
A-C	0.0	51.0644	-100.457	-49.3926	111	9	2	6448	0	23	37
A-D	0.0	-18.5742	-18.0508	-36.625	24	2	0	874	0	5	3
B-C	-2.3558	48.5364	-108.515	-62.3344	112	12	2	6560	0	23	37
B-D	-10.7359	35.9936	-135.553	-110.2953	104	16	1	6251	2	27	27
B-F	0.0	-22.0029	-13.8327	-35.8356	21	0	0	717	0	5	3
D-E	-3.2006	50.7927	-132.639	-85.0469	115	11	2	6938	0	24	38
D-F	0.0	49.8719	-110.007	-60.1351	113	10	2	6434	0	23	37
E-F	0.0	48.4752	-105.944	-57.4688	111	10	2	6411	0	23	37

Interface residues

• A-B: ALA103B, ALA121A, ALA127A, ALA271B, ALA273B, ALA559A, ALA586A, ALA596A, ARG128A, ARG157B, ARG580A, ARG92B, ARG93B, ASN119A, ASN275B, ASN41B, ASN588A, ASN606A, ASN62B, ASP109A, ASP141B, ASP288B, ASP290B, ASP40B, ASP562A, ASP578A, ASP81B, ASP82B, CYS105B, CYS16A, CYS19A, CYS25A, CYS91B, GLN286B, GLN595A, GLY108A, GLY147B, GLY313B, GLY558A, GLY599A, GLY89A, GLY89B, HIS146B, HIS20A, HIS21A, HIS272B, HIS291B, HIS333B, HIS590A, ILE277B, ILE579A, LEU126A, LEU142B, LEU287B, LEU292B, LEU582A, LEU94B, LYS104B, LYS129A, LYS131A, LYS139B, LYS148B, LYS149B, LYS30A, LYS314B, LYS556A, LYS587A, LYS84B, PHE560A, PRO106B, PRO107B, PRO143B, PRO144B, PRO24A, PRO274B, PRO557A, PRO592A, PRO90A, PRO90B, SER110A, SER114A, SER123A, SER17A, SER576A, SER585A, SER597A, SER598A, SER86A, SER88A, SER88B, THR112A, THR125A, THR15A, THR22A, THR289B, THR42B, THR577A, THR594A, THR79B, THR87A, TRP330B, TYR140B, TYR18A, TYR593A, TYR96B, VAL111A, VAL116A, VAL145B, VAL154B, VAL23A, VAL270B, VAL276B, VAL312B, VAL591A
• A-C: ALA103A, ALA121C, ALA127C, ALA271A, ALA273A, ALA559C, ALA586C, ALA596C, ARG128C, ARG157A, ARG580C, ARG92A, ARG93A, ASN119C, ASN275A, ASN41A, ASN588C, ASN606C, ASN62A, ASP109C, ASP141A, ASP288A, ASP290A, ASP40A, ASP578C, ASP81A, ASP82A, CYS105A, CYS16C, CYS19C, CYS25C, CYS91A, GLN286A, GLN595C, GLY108C, GLY147A, GLY313A, GLY558C, GLY599C, GLY89A, GLY89C, HIS146A, HIS20C, HIS21C, HIS272A, HIS291A, HIS333A, HIS590C, ILE277A, ILE579C, LEU126C, LEU142A, LEU287A, LEU292A, LEU582C, LEU94A, LYS104A, LYS129C, LYS131C, LYS139A, LYS148A, LYS149A, LYS30C, LYS314A, LYS556C, LYS587C, LYS84A, PHE560C, PRO106A, PRO107A, PRO143A, PRO144A, PRO24C, PRO274A, PRO557C, PRO592C, PRO90A, PRO90C, SER110C, SER114C, SER123C, SER17C, SER585C, SER597C, SER598C, SER86C, SER88A, SER88C, THR112C, THR125C, THR15C, THR22C, THR289A, THR42A, THR577C, THR594C, THR79A, THR87C, TRP330A, TYR140A, TYR18C, TYR593C, TYR96A, VAL111C, VAL116C, VAL145A, VAL23C, VAL270A, VAL276A, VAL312A, VAL591C
• A-D: ALA382D, ARG381D, ARG649D, ASN460A, ASN644D, ASP457A, CYS456A, GLU362D, GLU459A, GLY359D, GLY360D, GLY383D, GLY424A, GLY442A, GLY443A, ILE642D, LYS520D, LYS583A, PHE455A, PHE647D, SER425A, SER458A, TYR361D, TYR384D
• B-C: ALA103C, ALA121B, ALA127B, ALA271C, ALA273C, ALA559B, ALA586B, ALA596B, ARG128B, ARG157C, ARG580B, ARG92C, ARG93C, ASN119B, ASN275C, ASN41C, ASN588B, ASN606B, ASN62C, ASP109B, ASP141C, ASP288C, ASP290C, ASP40C, ASP562B, ASP578B, ASP81C, ASP82C, CYS105C, CYS16B, CYS19B, CYS25B, CYS91C, GLN286C, GLN595B, GLY147C, GLY313C, GLY558B, GLY599B, GLY89B, GLY89C, HIS146C, HIS20B, HIS21B, HIS272C, HIS291C, HIS333C, HIS590B, ILE277C, ILE579B, LEU126B, LEU142C, LEU287C, LEU292C, LEU582B, LEU94C, LYS104C, LYS129B, LYS131B, LYS139C, LYS148C, LYS149C, LYS30B, LYS314C, LYS556B, LYS587B, LYS84C, PHE560B, PRO106C, PRO107C, PRO143C, PRO144C, PRO24B, PRO274C, PRO557B, PRO592B, PRO90B, PRO90C, SER110B, SER114B, SER120B, SER123B, SER17B, SER585B, SER597B, SER598B, SER86B, SER88B, SER88C, THR112B, THR125B, THR15B, THR22B, THR289C, THR42C, THR577B, THR594B, THR79C, THR87B, TRP330C, TYR140C, TYR18B, TYR593B, TYR96C, VAL111B, VAL116B, VAL145C, VAL23B, VAL270C, VAL276C, VAL312C, VAL591B
• B-D: ALA487B, ALA487D, ALA488B, ALA488D, ALA622B, ALA622D, ALA628D, ARG494B, ARG494D, ARG627B, ARG627D, ASN403B, ASN403D, ASN509B, ASN509D, ASN624B, ASN624D, ASP505B, ASP505D, ASP518B, ASP518D, ASP630B, ASP630D, GLN372B, GLN372D, GLN404B, GLN404D, GLU397B, GLU397D, GLU405B, GLU405D, GLY492B, GLY492D, GLY514B, HIS485B, HIS485D, HIS535B, HIS535D, ILE482B, ILE482D, LEU399B, LEU399D, LEU493B, LEU493D, LEU504B, LEU504D, LEU626B, LEU626D, LYS483B, LYS483D, LYS490B, LYS490D, LYS517B, LYS517D, LYS571B, LYS571D, LYS620B, LYS620D, PHE503B, PHE503D, PRO371B, PRO371D, PRO400B, PRO400D, PRO513B, PRO625B, PRO625D, SER395B, SER395D, SER396B, SER396D, SER401B, SER401D, SER502B, SER502D, SER516B, SER516D, SER567B, SER567D, THR402B, THR402D, THR501B, THR501D, THR512B, THR512D, THR515B, THR515D, THR566B, THR566D, TYR406D, TYR507B, TYR507D, VAL398B, VAL398D, VAL491B, VAL491D, VAL506B, VAL508B, VAL511B, VAL511D, VAL623B, VAL623D, VAL629B, VAL629D
• B-F: ALA382B, ARG381B, ARG649B, ASN460F, ASN644B, ASP457F, CYS456F, GLU459F, GLY359B, GLY360B, GLY383B, GLY424F, GLY442F, GLY443F, LYS583F, PHE455F, PHE647B, SER425F, SER458F, TYR361B, TYR384B
• D-E: ALA103E, ALA121D, ALA127D, ALA271E, ALA273E, ALA559D, ALA586D, ALA596D, ARG128D, ARG157E, ARG580D, ARG92E, ARG93E, ASN119D, ASN275E, ASN41E, ASN588D, ASN606D, ASN62E, ASP109D, ASP141E, ASP288E, ASP290E, ASP40E, ASP562D, ASP578D, ASP81E, ASP82E, CYS105E, CYS16D, CYS19D, CYS25D, CYS91E, GLN286E, GLN595D, GLY108D, GLY147E, GLY313E, GLY558D, GLY599D, GLY89D, GLY89E, HIS146E, HIS20D, HIS21D, HIS272E, HIS291E, HIS333E, HIS590D, ILE277E, ILE579D, LEU126D, LEU142E, LEU287E, LEU292E, LEU582D, LEU94E, LYS104E, LYS129D, LYS131D, LYS139E, LYS148E, LYS149E, LYS30D, LYS314E, LYS556D, LYS587D, LYS84E, PHE560D, PRO106E, PRO107E, PRO143E, PRO144E, PRO24D, PRO274E, PRO557D, PRO592D, PRO90D, PRO90E, SER110D, SER114D, SER120D, SER123D, SER17D, SER585D, SER597D, SER598D, SER86D, SER88D, SER88E, THR112D, THR125D, THR15D, THR22D, THR289E, THR42E, THR577D, THR594D, THR79E, THR87D, TRP330E, TRP603D, TYR140E, TYR18D, TYR593D, TYR96E, VAL111D, VAL116D, VAL145E, VAL23D, VAL270E, VAL276E, VAL312E, VAL316E, VAL591D
• D-F: ALA103D, ALA121F, ALA127F, ALA271D, ALA273D, ALA559F, ALA586F, ALA596F, ARG128F, ARG157D, ARG580F, ARG92D, ARG93D, ASN119F, ASN275D, ASN41D, ASN588F, ASN606F, ASN62D, ASP109F, ASP141D, ASP288D, ASP290D, ASP40D, ASP578F, ASP81D, ASP82D, CYS105D, CYS16F, CYS19F, CYS25F, CYS91D, GLN286D, GLN595F, GLY108F, GLY147D, GLY313D, GLY558F, GLY599F, GLY89D, GLY89F, HIS146D, HIS20F, HIS21F, HIS272D, HIS291D, HIS333D, HIS590F, ILE277D, ILE579F, LEU126F, LEU142D, LEU287D, LEU292D, LEU582F, LEU94D, LYS104D, LYS129F, LYS131F, LYS139D, LYS148D, LYS149D, LYS30F, LYS314D, LYS556F, LYS587F, LYS84D, PHE560F, PRO106D, PRO107D, PRO143D, PRO144D, PRO24F, PRO274D, PRO557F, PRO592F, PRO90D, PRO90F, SER110F, SER114F, SER120F, SER123F, SER17F, SER585F, SER597F, SER598F, SER86F, SER88D, SER88F, THR112F, THR125F, THR15F, THR22F, THR289D, THR42D, THR577F, THR594F, THR79D, THR87F, TRP330D, TYR140D, TYR18F, TYR593F, TYR96D, VAL111F, VAL116F, VAL145D, VAL154D, VAL23F, VAL270D, VAL276D, VAL312D, VAL591F
• E-F: ALA103F, ALA121E, ALA127E, ALA271F, ALA273F, ALA559E, ALA586E, ALA596E, ARG128E, ARG157F, ARG580E, ARG92F, ARG93F, ASN119E, ASN275F, ASN41F, ASN588E, ASN606E, ASN62F, ASP109E, ASP141F, ASP288F, ASP290F, ASP40F, ASP578E, ASP81F, ASP82F, CYS105F, CYS16E, CYS19E, CYS25E, CYS91F, GLN286F, GLN595E, GLY147F, GLY313F, GLY558E, GLY599E, GLY89E, GLY89F, HIS146F, HIS20E, HIS21E, HIS272F, HIS291F, HIS333F, HIS590E, ILE277F, ILE579E, LEU126E, LEU142F, LEU287F, LEU292F, LEU582E, LEU94F, LYS104F, LYS129E, LYS131E, LYS139F, LYS148F, LYS149F, LYS30E, LYS314F, LYS556E, LYS587E, LYS84F, PHE560E, PRO106F, PRO107F, PRO143F, PRO144F, PRO24E, PRO274F, PRO557E, PRO592E, PRO90E, PRO90F, SER110E, SER114E, SER123E, SER17E, SER585E, SER597E, SER598E, SER86E, SER88E, SER88F, THR112E, THR125E, THR15E, THR22E, THR289F, THR42F, THR577E, THR594E, THR79F, THR87E, TRP330F, TYR140F, TYR18E, TYR593E, TYR96F, VAL111E, VAL116E, VAL145F, VAL154F, VAL23E, VAL270F, VAL276F, VAL312F, VAL591E