3TPQ

crystal structure of wild-type mal rpel domain in complex with five g- actins

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 22
  • Norm. En. per Res.: -2.8953
• Hub Node: A(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	-18.7804	-11.0414	-26.5563	-56.3781	42	2	2	1619	1	32	27
A-C	0.0	0.0	-0.015	-0.015	8	0	0	12	0	0	0
A-D	-22.7413	-11.2508	-63.7562	-97.7484	59	9	2	3356	2	31	17
A-E	0.0	-12.0206	-6.9132	-18.9339	22	2	1	718	1	14	10
A-M	-34.4358	-37.8436	-350.45	-422.7294	164	31	10	15929	1	53	53
B-C	-7.0923	-39.4053	-17.1996	-63.6972	22	2	0	1139	4	14	11
B-M	-27.493	-22.587	-257.387	-307.467	107	27	10	12015	4	24	27
C-D	0.0	-4.8436	-10.7645	-15.6081	14	0	0	426	0	7	3
C-M	-11.0815	45.6985	-165.024	-130.407	76	12	4	7047	0	22	17
D-E	0.0	0.0	-2.3346	-2.3346	13	0	0	128	0	1	0
D-M	-68.8117	-9.7958	-230.14	-308.7475	109	25	12	10610	0	30	27
E-M	-6.6448	68.2149	-119.707	-58.1368	65	11	5	5848	0	11	13

Interface residues

• A-B: ALA19A, ALA26A, ALA29A, ARG210A, ARG28A, ARG290B, ASP211A, ASP25A, ASP286B, ASP288B, ASP292B, ASP56A, CYS285B, GLN59A, GLU167B, GLU214A, GLU334A, GLU57A, GLU93A, HIS88A, ILE287B, ILE289B, LEU16A, LYS18A, LYS215A, LYS284B, LYS291B, LYS326B, LYS336A, MET283B, MET305A, PHE31A, PRO27A, PRO322B, PRO333A, SER60A, THR149B, THR324B, TYR166B, TYR279B, TYR337A, VAL30A
• A-C: ARG147A, ASP292C, GLN354C, LYS291C, LYS328A, SER350A, THR351C, TYR166C
• A-D: ALA19D, ALA26D, ALA29D, ALA319A, ALA321A, ALA58D, ARG28D, ARG290A, ARG95D, ASN280A, ASN92D, ASP24D, ASP25D, ASP286A, ASP288A, ASP56D, CYS285A, GLN59D, GLU214D, GLU334D, GLU57D, GLU93D, GLY55D, HIS173A, HIS88D, ILE282A, ILE287A, ILE289A, ILE317A, ILE341D, LEU16D, LEU320A, LEU94D, LYS18D, LYS215D, LYS284A, LYS291A, LYS336D, MET283A, MET305D, MET325A, PHE21D, PHE31D, PRO27D, PRO322A, PRO32D, PRO333D, SER323A, SER60D, THR318A, THR324A, TRP340D, TYR166A, TYR279A, TYR294A, TYR337D, TYR91D, VAL30D, VAL54D
• A-E: ALA114A, ALA22E, ALA26E, ARG116A, ARG177A, ARG28E, ASN111A, ASN115A, ASP179A, ASP24E, ASP25E, GLU117A, GLU270A, GLY23E, HIS371A, LEU110A, LYS113A, LYS328E, PHE21E, PRO112A, PRO333E, SER368A
• A-M: ALA108A, ALA112M, ALA114A, ALA129M, ALA142M, ALA144A, ALA148M, ALA170A, ALA174A, ALA22A, ALA26A, ALA310A, ALA331A, ALA347A, ARG106M, ARG107M, ARG111M, ARG113M, ARG116A, ARG120M, ARG123M, ARG125M, ARG128M, ARG147A, ARG254A, ARG290A, ARG335A, ARG81M, ARG82M, ASN111A, ASN115A, ASP116M, ASP211A, ASP24A, ASP25A, ASP286A, ASP288A, CYS217A, CYS285A, CYS374A, GLN147M, GLN150M, GLN354A, GLN79M, GLN80M, GLN90M, GLU104M, GLU107A, GLU110M, GLU115M, GLU127M, GLU130M, GLU138M, GLU139M, GLU143M, GLU167A, GLU214A, GLU241A, GLU334A, GLU85M, GLU86M, GLY146A, GLY168A, GLY23A, GLY302A, GLY308A, GLY342A, GLY343A, GLY91M, HIS135M, HIS173A, HIS371A, ILE122M, ILE136A, ILE136M, ILE165A, ILE175A, ILE212A, ILE248A, ILE287A, ILE289A, ILE309A, ILE341A, ILE345A, ILE75A, ILE92M, LEU110A, LEU118M, LEU131M, LEU137M, LEU140A, LEU142A, LEU146M, LEU151M, LEU171A, LEU216A, LEU242A, LEU293A, LEU346A, LEU349A, LEU76M, LEU87M, LYS113A, LYS119M, LYS121M, LYS149M, LYS152M, LYS213A, LYS215A, LYS238A, LYS284A, LYS336A, LYS373A, LYS77M, MET134M, MET176A, MET305A, MET355A, MET93M, PHE21A, PHE352A, PHE375A, PRO109A, PRO112A, PRO126M, PRO144M, PRO164A, PRO172A, PRO307A, PRO332A, PRO333A, PRO94M, PRO95M, SER108M, SER124M, SER141M, SER145A, SER145M, SER239A, SER344A, SER348A, SER350A, SER89M, THR114M, THR148A, THR149A, THR304A, THR351A, THR83M, TRP340A, TYR117M, TYR133A, TYR143A, TYR166A, TYR169A, TYR218A, TYR240A, TYR306A, VAL132M, VAL139A, VAL247A, VAL73M, VAL88M, VAL9A
• B-C: ALA114B, ALA22C, ALA26C, ALA29C, ARG28C, ASN111B, ASN115B, ASP24C, ASP25C, GLU117B, GLY23C, HIS371B, LEU110B, LYS113B, LYS118B, PHE21C, PRO112B, PRO172B, PRO27C, PRO367B, SER368B, THR6C
• B-M: ALA100M, ALA101M, ALA144B, ALA170B, ALA174B, ALA22B, ALA26B, ALA347B, ARG106M, ARG107M, ARG116B, ARG147B, ARG335B, ARG372B, ARG70M, ARG81M, ARG82M, ARG84M, ASN296B, ASN72M, ASP24B, ASP25B, ASP286B, ASP288B, CYS285B, CYS374B, GLN353B, GLN354B, GLN75M, GLN79M, GLN80M, GLN90M, GLU104M, GLU167B, GLU334B, GLU69M, GLU85M, GLU86M, GLY146B, GLY168B, GLY23B, GLY342B, GLY343B, GLY91M, HIS103M, HIS173B, HIS371B, ILE165B, ILE175B, ILE287B, ILE289B, ILE341B, ILE345B, ILE92M, LEU110B, LEU140B, LEU142B, LEU171B, LEU346B, LEU349B, LEU67M, LEU74M, LEU76M, LEU78M, LEU87M, LEU96M, LYS113B, LYS284B, LYS373B, LYS71M, LYS77M, LYS97M, MET176B, MET355B, MET93M, PHE102M, PHE21B, PHE352B, PHE375B, PRO112B, PRO172B, PRO332B, PRO333B, PRO94M, PRO95M, PRO99M, SER141B, SER145B, SER338B, SER344B, SER348B, SER350B, SER68M, SER98M, THR148B, THR149B, THR351B, THR83M, TRP340B, TYR133B, TYR143B, TYR166B, TYR169B, TYR337B, VAL139B, VAL73M, VAL88M
• C-D: ALA365C, ARG372C, ASP244D, CYS374C, GLN246D, GLU241D, GLY245D, HIS371C, ILE369C, LEU242D, LYS373C, PHE375C, PRO243D, SER368C
• C-M: ALA100M, ALA101M, ALA112M, ALA144C, ALA22C, ALA26C, ALA347C, ALA7C, ARG106M, ARG107M, ARG111M, ARG113M, ARG120M, ARG123M, ARG147C, ASP116M, ASP24C, ASP25C, ASP288C, CYS374C, GLN105M, GLN353C, GLN354C, GLU104M, GLU110M, GLU115M, GLU167C, GLU334C, GLY146C, GLY168C, GLY23C, GLY342C, GLY343C, HIS103M, ILE330C, ILE341C, ILE345C, LEU109M, LEU140C, LEU142C, LEU346C, LEU349C, LEU96M, LYS119M, LYS97M, MET355C, PHE102M, PHE21C, PHE352C, PHE375C, PRO27C, PRO332C, PRO333C, PRO95M, PRO99M, SER108M, SER141C, SER145C, SER338C, SER344C, SER348C, SER350C, SER98M, THR114M, THR148C, THR149C, THR351C, THR6C, TRP340C, TYR117M, TYR133C, TYR143C, TYR166C, TYR169C, TYR337C, VAL139C
• D-E: ARG147D, ASP292E, GLN354E, GLU167E, GLY146D, ILE289E, LEU349D, LYS328D, SER145D, SER350D, THR351D, THR351E, TYR166E
• D-M: ALA129M, ALA144D, ALA156M, ALA159M, ALA167M, ALA170D, ALA174D, ALA26D, ALA331D, ARG120M, ARG133M, ARG147D, ARG155M, ARG169M, ARG335D, ASN163M, ASN179M, ASP160M, ASP161M, ASP24D, ASP25D, ASP286D, ASP288D, CYS217D, CYS285D, CYS374D, GLN168M, GLN353D, GLN354D, GLU130M, GLU138M, GLU139M, GLU164M, GLU167D, GLU174M, GLU214D, GLU241D, GLU334D, GLY146D, GLY168D, GLY171M, GLY23D, GLY308D, GLY342D, HIS135M, HIS173D, ILE136D, ILE136M, ILE165D, ILE166M, ILE180M, ILE287D, ILE289D, ILE309D, ILE341D, ILE345D, LEU131M, LEU137M, LEU140D, LEU142D, LEU151M, LEU158M, LEU162M, LEU171D, LEU175M, LEU181M, LEU216D, LEU346D, LEU349D, LYS152M, LYS154M, LYS165M, LYS178M, LYS215D, LYS284D, LYS336D, LYS373D, MET134M, MET173M, MET305D, MET355D, PHE352D, PHE375D, PRO164D, PRO170M, PRO172D, PRO172M, PRO182M, PRO27D, PRO307D, PRO332D, PRO333D, SER145D, SER344D, SER348D, SER350D, THR140M, THR148D, THR149D, THR351D, TYR133D, TYR143D, TYR166D, TYR169D, TYR218D, TYR306D, TYR337D, VAL132M, VAL139D
• E-M: ALA142M, ALA144E, ALA148M, ALA156M, ALA159M, ALA22E, ALA26E, ALA347E, ARG147E, ARG155M, ARG157M, ASN163M, ASP160M, ASP161M, ASP24E, ASP25E, GLN147M, GLN150M, GLN353E, GLN354E, GLU138M, GLU139M, GLU143M, GLU164M, GLU167E, GLU334E, GLY146E, GLY168E, GLY23E, GLY342E, GLY343E, ILE165E, ILE341E, ILE345E, LEU140E, LEU142E, LEU146M, LEU151M, LEU153M, LEU158M, LEU162M, LEU346E, LEU349E, LYS149M, LYS152M, LYS154M, MET355E, PHE21E, PHE352E, PRO144M, SER141M, SER145E, SER145M, SER344E, SER348E, SER350E, THR140M, THR148E, THR149E, THR351E, TRP340E, TYR143E, TYR166E, TYR169E, VAL139E