1SLQ

crystal structure of the trimeric state of the rhesus rotavirus vp4 membrane interaction domain, vp5ct

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 193
  • Norm. En. per Res.: -3.6953
• 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	-117.8483	-96.3578	-469.652	-683.8582	187	56	15	21354	10	42	38
A-C	-94.3285	-123.0352	-436.478	-653.8416	181	60	15	21058	10	42	39
A-D	0.0	0.0	-17.3309	-17.3309	13	1	2	990	0	0	1
A-F	0.0	0.0	-16.3823	-16.3823	21	1	1	960	0	0	1
B-C	-95.4738	-77.5607	-498.113	-671.1475	183	46	17	21361	11	38	39
B-F	0.0	11.3493	-11.6526	-0.3033	25	1	1	856	0	0	2
C-D	0.0	0.0	-27.1195	-27.1195	23	6	0	1306	0	0	0
C-E	0.0	15.5657	-14.9739	0.5918	26	8	1	1508	0	1	2
C-F	-3.358	0.0	-40.14	-43.498	25	1	0	1552	0	0	0
D-E	-109.7613	-84.5929	-476.483	-670.8372	188	58	13	21725	9	40	37
D-F	-81.0668	-49.7178	-494.021	-624.8056	198	86	12	23176	7	47	35
E-F	-109.4759	-98.4445	-505.266	-713.1864	193	38	14	21720	9	44	37

Interface residues

• A-B: ALA278A, ALA278B, ALA299A, ALA388A, ALA507B, ALA513A, ALA513B, ARG341B, ARG363B, ARG369A, ARG425A, ARG491A, ARG491B, ARG496A, ARG496B, ARG502A, ARG502B, ASN300A, ASN321A, ASN364B, ASN422A, ASN477B, ASN486A, ASN486B, ASN506A, ASN506B, ASP354A, ASP417A, ASP417B, ASP478B, ASP479B, ASP493A, ASP493B, CYS318A, GLN266A, GLN414A, GLN481B, GLN492A, GLN492B, GLN497A, GLN497B, GLN510A, GLN510B, GLN516A, GLU264A, GLU293A, GLU293B, GLU343B, GLU495A, GLU495B, GLU500A, GLU500B, GLU503A, GLU503B, GLU504A, GLU504B, GLU511A, GLU511B, GLY285A, GLY285B, GLY286A, GLY286B, GLY288A, GLY322A, GLY499A, GLY499B, HIS315A, ILE281A, ILE281B, ILE294B, ILE471A, ILE484B, ILE512A, ILE512B, LEU261A, LEU261B, LEU287A, LEU371A, LEU389A, LEU411A, LEU421A, LEU424A, LEU470A, LEU473A, LEU473B, LEU494A, LEU494B, LEU498A, LEU498B, LEU501A, LEU501B, LEU508A, LEU508B, LEU517B, LYS258A, LYS263A, LYS283A, LYS283B, LYS290A, LYS290B, LYS297A, LYS297B, MET265A, MET323A, MET365A, MET365B, MET514B, PHE296B, PHE362A, PHE415A, PHE415B, PHE418A, PHE418B, PHE505A, PHE505B, PRO298A, PRO298B, PRO334A, PRO390A, PRO475A, PRO475B, PRO483B, SER257A, SER260A, SER260B, SER279B, SER280A, SER280B, SER284A, SER284B, SER292A, SER292B, SER295B, SER319A, SER370A, SER412A, SER420A, SER420B, SER423A, SER472A, SER476A, SER476B, SER487A, SER487B, SER509A, SER509B, SER515B, THR259A, THR259B, THR316A, THR317A, THR335A, THR410A, THR413A, THR413B, THR416A, THR416B, THR482B, THR485B, THR489A, THR489B, TRP262A, TRP262B, TRP291A, TRP356A, TYR289A, TYR352A, TYR367A, TYR367B, TYR480B, VAL256A, VAL282A, VAL282B, VAL320A, VAL353A, VAL366A, VAL366B, VAL368A, VAL391A, VAL419A, VAL419B, VAL474A, VAL474B, VAL488A, VAL488B, VAL490A, VAL490B
• A-C: ALA278C, ALA299C, ALA507A, ALA507C, ALA513A, ALA513C, ARG341A, ARG363A, ARG369C, ARG425C, ARG491A, ARG491C, ARG496A, ARG496C, ARG502A, ARG502C, ASN300C, ASN321C, ASN364A, ASN422C, ASN477A, ASN486A, ASN486C, ASN506A, ASN506C, ASP354C, ASP417A, ASP417C, ASP478A, ASP479A, ASP493A, ASP493C, CYS318C, GLN414C, GLN481A, GLN492A, GLN492C, GLN497A, GLN497C, GLN510A, GLN510C, GLN516A, GLN516C, GLU264C, GLU293A, GLU343A, GLU495A, GLU495C, GLU500A, GLU500C, GLU503A, GLU503C, GLU504A, GLU504C, GLU511A, GLU511C, GLY285A, GLY285C, GLY286A, GLY286C, GLY288C, GLY499A, GLY499C, HIS315C, ILE281A, ILE281C, ILE294A, ILE471C, ILE484A, ILE512A, ILE512C, ILE518A, LEU261A, LEU261C, LEU287C, LEU371C, LEU411C, LEU421C, LEU424C, LEU470C, LEU473A, LEU473C, LEU494A, LEU494C, LEU498A, LEU498C, LEU501A, LEU501C, LEU508A, LEU508C, LEU517A, LEU520A, LYS258C, LYS263A, LYS263C, LYS283A, LYS283C, LYS290C, LYS297A, LYS297C, MET265C, MET365A, MET365C, MET514A, MET514C, PHE296A, PHE415A, PHE415C, PHE418A, PHE418C, PHE505A, PHE505C, PRO298A, PRO298C, PRO334C, PRO390C, PRO475A, PRO475C, PRO483A, SER257C, SER260A, SER260C, SER279A, SER280A, SER280C, SER284A, SER284C, SER292A, SER292C, SER295A, SER319C, SER370C, SER412C, SER420A, SER420C, SER423C, SER472C, SER476A, SER476C, SER487A, SER487C, SER509A, SER509C, SER515A, SER515C, THR259A, THR259C, THR317C, THR335C, THR410C, THR413A, THR413C, THR416A, THR416C, THR482A, THR485A, THR489A, THR489C, TRP262A, TRP262C, TRP291C, TYR289C, TYR352C, TYR367A, TYR367C, TYR480A, VAL256C, VAL282A, VAL282C, VAL366A, VAL366C, VAL368C, VAL391C, VAL419A, VAL419C, VAL474A, VAL474C, VAL488A, VAL488C, VAL490A, VAL490C
• A-D: ALA513A, ALA521A, ASP519D, GLN516A, ILE518A, ILE518D, LEU517A, LEU517D, LEU520A, LEU520D, LEU522A, MET514A, MET514D
• A-F: ALA513A, ALA521A, ASP519A, GLN393F, GLN510A, GLN516A, GLU511A, GLY392F, ILE512A, ILE518A, LEU287F, LEU333F, LEU508A, LEU517A, MET514A, PRO334F, PRO390F, SER515A, THR335F, TYR289F, VAL391F
• B-C: ALA278B, ALA299B, ALA507C, ALA513B, ALA513C, ARG341C, ARG363C, ARG369B, ARG425B, ARG491B, ARG491C, ARG496B, ARG496C, ARG502B, ARG502C, ASN300B, ASN321B, ASN364C, ASN422B, ASN477C, ASN486B, ASN486C, ASN506B, ASN506C, ASP354B, ASP417B, ASP417C, ASP478C, ASP479C, ASP493B, ASP493C, CYS318B, GLN266B, GLN414B, GLN481C, GLN492B, GLN492C, GLN497B, GLN497C, GLN510B, GLN510C, GLN516B, GLN516C, GLU264B, GLU293B, GLU293C, GLU343C, GLU495B, GLU495C, GLU500B, GLU500C, GLU503B, GLU503C, GLU504B, GLU504C, GLU511B, GLU511C, GLY285B, GLY285C, GLY286B, GLY286C, GLY288B, GLY322B, GLY499B, GLY499C, HIS315B, ILE281B, ILE281C, ILE471B, ILE484C, ILE512B, ILE512C, LEU261B, LEU261C, LEU287B, LEU371B, LEU389B, LEU411B, LEU421B, LEU424B, LEU470B, LEU473B, LEU473C, LEU494B, LEU494C, LEU498B, LEU498C, LEU501B, LEU501C, LEU508B, LEU508C, LEU517B, LEU517C, LYS258B, LYS263B, LYS263C, LYS283B, LYS283C, LYS290B, LYS297B, LYS297C, MET265B, MET323B, MET365B, MET365C, MET514B, MET514C, PHE296C, PHE415B, PHE415C, PHE418B, PHE418C, PHE505B, PHE505C, PRO298B, PRO298C, PRO334B, PRO390B, PRO475B, PRO475C, PRO483C, SER257B, SER260B, SER260C, SER280B, SER280C, SER284B, SER284C, SER292B, SER292C, SER295C, SER319B, SER370B, SER412B, SER420B, SER420C, SER423B, SER472B, SER472C, SER476C, SER487B, SER487C, SER509B, SER509C, SER515C, THR259B, THR259C, THR317B, THR335B, THR410B, THR413B, THR413C, THR416B, THR416C, THR482C, THR485C, THR489B, THR489C, TRP262B, TRP262C, TRP291B, TYR289B, TYR352B, TYR367B, TYR367C, TYR480C, VAL256B, VAL282B, VAL282C, VAL320B, VAL353B, VAL366B, VAL366C, VAL368B, VAL409B, VAL419B, VAL419C, VAL474B, VAL474C, VAL488B, VAL488C, VAL490B, VAL490C
• B-F: ARG441F, ARG443B, ASN457F, ASP336B, ASP384F, GLN393F, GLY286B, GLY331B, GLY383F, GLY399F, GLY458F, LEU287B, LEU333B, LYS459F, MET397F, PRO334B, PRO395F, SER332B, SER386F, THR335B, THR398F, THR440F, TRP394F, TYR385F, VAL396F
• C-D: ALA507D, ALA513D, GLN393C, GLN510D, GLN516D, GLU511D, GLY392C, ILE512D, ILE518D, LEU287C, LEU333C, LEU389C, LEU508D, LEU517D, LEU520D, MET514D, PRO334C, PRO390C, SER515D, THR335C, TRP394C, TYR289C, VAL391C
• C-E: ARG441C, ASN454C, ASP336E, ASP384C, GLN393C, GLY286E, GLY330E, GLY331E, GLY383C, GLY399C, LEU287E, LEU333E, LYS290E, MET397C, PHE387C, PRO334E, PRO395C, SER332E, SER386C, SER438C, THR335E, THR398C, THR440C, TRP394C, TYR385C, VAL396C
• C-F: ALA513C, ALA513F, ARG441C, ARG441F, GLN393C, GLN393F, GLN510F, GLN516C, GLN516F, GLY392C, GLY392F, ILE512C, ILE512F, LEU517C, LEU517F, MET514C, MET514F, SER509F, SER515C, SER515F, THR440C, THR440F, TRP394F, VAL391C, VAL391F
• D-E: ALA278D, ALA299D, ALA388D, ALA507E, ALA513D, ALA513E, ARG341E, ARG363E, ARG369D, ARG425D, ARG491D, ARG491E, ARG496D, ARG496E, ARG502D, ARG502E, ASN300D, ASN321D, ASN364E, ASN422D, ASN422E, ASN477E, ASN486D, ASN486E, ASN506D, ASN506E, ASP354D, ASP417D, ASP417E, ASP478E, ASP479E, ASP493D, ASP493E, CYS318D, GLN414D, GLN481E, GLN492D, GLN492E, GLN497D, GLN497E, GLN510D, GLN510E, GLN516D, GLN516E, GLU264D, GLU293D, GLU293E, GLU343E, GLU495D, GLU495E, GLU500D, GLU500E, GLU503D, GLU503E, GLU504D, GLU504E, GLU511E, GLY285D, GLY285E, GLY286D, GLY286E, GLY288D, GLY322D, GLY499D, GLY499E, HIS315D, ILE281D, ILE281E, ILE471D, ILE484E, ILE512D, ILE512E, LEU261D, LEU261E, LEU287D, LEU333D, LEU371D, LEU389D, LEU411D, LEU421D, LEU424D, LEU470D, LEU473D, LEU473E, LEU494D, LEU494E, LEU498D, LEU498E, LEU501D, LEU501E, LEU508D, LEU508E, LEU517E, LYS258D, LYS263D, LYS263E, LYS283D, LYS283E, LYS290D, LYS290E, LYS297D, LYS297E, MET265D, MET323D, MET365D, MET365E, MET514E, PHE296E, PHE362D, PHE415D, PHE415E, PHE418D, PHE418E, PHE505D, PHE505E, PRO298D, PRO298E, PRO334D, PRO390D, PRO475D, PRO475E, PRO483E, SER257D, SER260D, SER260E, SER279D, SER280D, SER280E, SER284D, SER284E, SER292D, SER292E, SER295E, SER319D, SER370D, SER412D, SER420D, SER420E, SER423D, SER472D, SER472E, SER476E, SER487D, SER487E, SER509D, SER509E, SER515E, THR259D, THR259E, THR316D, THR317D, THR335D, THR410D, THR413D, THR413E, THR416D, THR416E, THR482E, THR485E, THR489D, THR489E, TRP262D, TRP262E, TRP291D, TYR289D, TYR301D, TYR352D, TYR367D, TYR367E, TYR480E, VAL256D, VAL282D, VAL282E, VAL320D, VAL353D, VAL366D, VAL366E, VAL368D, VAL391D, VAL409D, VAL419D, VAL419E, VAL474D, VAL474E, VAL488D, VAL488E, VAL490D, VAL490E
• D-F: ALA278D, ALA278F, ALA299F, ALA388F, ALA507D, ALA513D, ALA513F, ARG341D, ARG363D, ARG369F, ARG425F, ARG491D, ARG491F, ARG496D, ARG496F, ARG502D, ARG502F, ASN300F, ASN321F, ASN364D, ASN422D, ASN422F, ASN477D, ASN486D, ASN486F, ASN506D, ASN506F, ASP325D, ASP354F, ASP417D, ASP417F, ASP478D, ASP479D, ASP493D, ASP493F, CYS318F, GLN414F, GLN481D, GLN492D, GLN492F, GLN497D, GLN497F, GLN510D, GLN510F, GLN516D, GLN516F, GLU264F, GLU293D, GLU293F, GLU343D, GLU495D, GLU495F, GLU500D, GLU500F, GLU503D, GLU503F, GLU504D, GLU504F, GLU511D, GLU511F, GLY285D, GLY285F, GLY286D, GLY286F, GLY288F, GLY322F, GLY499D, GLY499F, HIS315F, ILE281D, ILE281F, ILE294D, ILE471F, ILE484D, ILE512D, ILE512F, LEU261D, LEU261F, LEU287F, LEU371F, LEU389F, LEU411F, LEU421F, LEU424F, LEU470F, LEU473D, LEU473F, LEU494D, LEU494F, LEU498D, LEU498F, LEU501D, LEU501F, LEU508D, LEU508F, LEU517D, LYS258F, LYS263D, LYS263F, LYS283D, LYS283F, LYS290D, LYS290F, LYS297D, LYS297F, MET265F, MET323D, MET323F, MET365D, MET365F, MET514D, PHE296D, PHE362F, PHE415D, PHE415F, PHE418D, PHE418F, PHE505D, PHE505F, PRO298D, PRO298F, PRO334F, PRO390F, PRO475D, PRO475F, PRO483D, SER257F, SER260D, SER260F, SER279D, SER279F, SER280D, SER280F, SER284D, SER284F, SER292D, SER292F, SER295D, SER319F, SER340D, SER370F, SER412F, SER420D, SER420F, SER423F, SER472D, SER472F, SER476D, SER476F, SER487D, SER509D, SER509F, SER515D, THR259D, THR259F, THR316F, THR317F, THR335F, THR410F, THR413D, THR413F, THR416D, THR416F, THR482D, THR482F, THR485D, THR489D, THR489F, TRP262D, TRP262F, TRP291D, TRP291F, TRP356F, TYR289F, TYR301F, TYR352F, TYR367D, TYR367F, TYR480D, VAL255F, VAL256F, VAL282D, VAL282F, VAL320F, VAL353F, VAL366D, VAL366F, VAL368F, VAL391F, VAL409F, VAL419D, VAL419F, VAL474D, VAL474F, VAL488D, VAL488F, VAL490D, VAL490F
• E-F: ALA278E, ALA278F, ALA299E, ALA507E, ALA507F, ALA513E, ALA513F, ARG341F, ARG363F, ARG369E, ARG425E, ARG491E, ARG491F, ARG496E, ARG496F, ARG502E, ARG502F, ASN300E, ASN321E, ASN364F, ASN422E, ASN477F, ASN486E, ASN486F, ASN506E, ASN506F, ASP354E, ASP417E, ASP417F, ASP478F, ASP479F, ASP493E, ASP493F, CYS318E, GLN266E, GLN414E, GLN481F, GLN492E, GLN492F, GLN497E, GLN497F, GLN510E, GLN510F, GLN516E, GLN516F, GLU264E, GLU293E, GLU293F, GLU343F, GLU495E, GLU495F, GLU500E, GLU500F, GLU503E, GLU503F, GLU504E, GLU504F, GLU511E, GLU511F, GLY285E, GLY285F, GLY286E, GLY286F, GLY288E, GLY322E, GLY499E, GLY499F, HIS315E, ILE281E, ILE281F, ILE294F, ILE471E, ILE484F, ILE512E, ILE512F, LEU261E, LEU261F, LEU287E, LEU371E, LEU411E, LEU421E, LEU424E, LEU470E, LEU473E, LEU473F, LEU494E, LEU494F, LEU498E, LEU498F, LEU501E, LEU501F, LEU508E, LEU508F, LEU517F, LEU520E, LYS258E, LYS263E, LYS263F, LYS283E, LYS283F, LYS290E, LYS290F, LYS297E, LYS297F, MET265E, MET323E, MET365E, MET365F, MET514E, MET514F, PHE296F, PHE362E, PHE415E, PHE415F, PHE418E, PHE418F, PHE505E, PHE505F, PRO298E, PRO298F, PRO334E, PRO390E, PRO475E, PRO475F, PRO483F, SER257E, SER260E, SER260F, SER279E, SER279F, SER280E, SER280F, SER284E, SER284F, SER292E, SER292F, SER295F, SER319E, SER340F, SER370E, SER412E, SER420E, SER420F, SER423E, SER472E, SER472F, SER476E, SER476F, SER487E, SER487F, SER509E, SER509F, SER515F, THR259E, THR259F, THR316E, THR317E, THR335E, THR410E, THR413E, THR413F, THR416E, THR416F, THR482F, THR485F, THR489E, THR489F, TRP262E, TRP262F, TRP291E, TYR289E, TYR301E, TYR352E, TYR355E, TYR367E, TYR367F, TYR480F, VAL282E, VAL282F, VAL320E, VAL353E, VAL366E, VAL366F, VAL368E, VAL391E, VAL419E, VAL419F, VAL474E, VAL474F, VAL488E, VAL488F, VAL490E, VAL490F