3L4F

crystal structure of betapix coiled-coil domain and shank pdz complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 53
  • Norm. En. per Res.: -4.8832
• 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	-4.1949	-72.8494	-186.222	-263.2663	99	19	13	9686	4	55	49
A-C	-5.7542	-68.5112	-224.042	-298.3074	105	27	18	11412	6	59	55
A-D	-69.9425	-27.9506	-160.916	-258.8091	53	16	5	6220	2	15	6
B-C	-17.7806	-60.4425	-203.701	-281.924	104	20	14	10297	4	59	51
C-D	-3.5747	-22.1943	-11.9127	-37.6817	8	1	0	309	1	2	2

Interface residues

• A-B: ALA596A, ALA596B, ALA621A, ALA621B, ALA640B, ARG605A, ARG605B, ARG620A, ARG620B, ARG622A, ARG622B, ARG630A, ARG630B, ASN608A, ASN608B, ASN635B, ASN637A, ASP592A, ASP592B, ASP599A, ASP599B, ASP607A, ASP607B, ASP624A, ASP624B, ASP638A, GLN602A, GLN602B, GLN606A, GLN606B, GLN619A, GLN619B, GLU587B, GLU600A, GLU600B, GLU603A, GLU603B, GLU616A, GLU616B, GLU617A, GLU617B, GLU618A, GLU618B, GLU626A, GLU626B, LEU590A, LEU590B, LEU597A, LEU597B, LEU604A, LEU604B, LEU615A, LEU615B, LEU625A, LEU625B, LEU628A, LEU628B, LEU633A, LEU633B, LYS588A, LYS598A, LYS598B, LYS609A, LYS609B, LYS610A, LYS610B, LYS612A, LYS612B, LYS613A, LYS613B, LYS623A, LYS623B, LYS627A, LYS631B, LYS634B, MET586A, MET586B, MET611A, MET611B, MET636A, MET636B, PRO639A, SER589B, SER614A, SER614B, THR593A, THR593B, TRP641B, TYR595A, VAL591A, VAL591B, VAL594A, VAL594B, VAL601A, VAL601B, VAL629A, VAL629B, VAL632A, VAL632B
• A-C: ALA596A, ALA596C, ALA621A, ALA621C, ARG605A, ARG605C, ARG620A, ARG620C, ARG622A, ARG622C, ARG630A, ARG630C, ASN608A, ASN608C, ASN635A, ASN635C, ASN637C, ASP592A, ASP592C, ASP599A, ASP599C, ASP607A, ASP607C, ASP624A, ASP624C, ASP638C, GLN602A, GLN602C, GLN606A, GLN606C, GLN619A, GLN619C, GLU587A, GLU587C, GLU600A, GLU600C, GLU603A, GLU603C, GLU616A, GLU616C, GLU617A, GLU618A, GLU618C, GLU626A, GLU626C, GLU643A, LEU590A, LEU590C, LEU597A, LEU597C, LEU604A, LEU604C, LEU615A, LEU615C, LEU625A, LEU625C, LEU628A, LEU628C, LEU633A, LEU633C, LYS588A, LYS588C, LYS598A, LYS598C, LYS609A, LYS609C, LYS610A, LYS610C, LYS612A, LYS612C, LYS613A, LYS613C, LYS623A, LYS623C, LYS627A, LYS627C, LYS631A, LYS631C, LYS634A, LYS634C, MET586C, MET611A, MET611C, MET636A, MET636C, PRO639A, SER589A, SER589C, SER614A, SER614C, THR593A, THR593C, TRP641A, TYR595A, TYR595C, VAL591A, VAL591C, VAL594A, VAL594C, VAL601A, VAL601C, VAL629A, VAL629C, VAL632A, VAL632C
• A-D: ALA640A, ALA681D, ALA683D, ALA698D, ALA711D, ARG679D, ARG736D, ARG743D, ASN635A, ASN637A, ASN645A, ASN740D, ASP638A, ASP642A, ASP706D, GLN700D, GLN737D, GLU643A, GLU672D, GLU688D, GLU703D, GLY673D, GLY675D, GLY680D, GLY734D, HIS735D, ILE687D, ILE742D, LEU646A, LEU678D, LEU699D, LEU702D, LEU722D, LEU749D, LYS631A, LYS634A, LYS668D, LYS682D, PHE674D, PHE676D, PHE696D, PHE721D, PRO639A, SER704D, THR644A, TRP641A, TYR701D, VAL677D, VAL705D, VAL710D, VAL725D, VAL738D, VAL739D
• B-C: ALA596B, ALA596C, ALA621B, ALA621C, ARG605B, ARG605C, ARG620B, ARG620C, ARG622B, ARG622C, ARG630B, ARG630C, ASN608B, ASN608C, ASN635B, ASN635C, ASN637B, ASN637C, ASP592B, ASP592C, ASP599B, ASP599C, ASP607B, ASP607C, ASP624B, ASP624C, GLN602B, GLN602C, GLN606B, GLN606C, GLN619B, GLN619C, GLU587B, GLU587C, GLU600B, GLU600C, GLU603B, GLU603C, GLU616B, GLU616C, GLU617B, GLU617C, GLU618B, GLU618C, GLU626B, GLU626C, LEU590B, LEU590C, LEU597B, LEU597C, LEU604B, LEU604C, LEU615B, LEU615C, LEU625B, LEU625C, LEU628B, LEU628C, LEU633B, LEU633C, LYS588B, LYS588C, LYS598B, LYS598C, LYS609B, LYS609C, LYS610B, LYS610C, LYS612B, LYS612C, LYS613B, LYS613C, LYS623B, LYS623C, LYS627B, LYS627C, LYS631B, LYS631C, LYS634B, LYS634C, MET586B, MET586C, MET611B, MET611C, MET636B, MET636C, PRO639B, SER589C, SER614B, SER614C, THR593B, THR593C, TYR595B, TYR595C, VAL591B, VAL591C, VAL594B, VAL594C, VAL601B, VAL601C, VAL629B, VAL629C, VAL632B, VAL632C
• C-D: ARG679D, ASN635C, ASN637C, ASP638C, GLU703D, MET636C, PHE696D, TYR701D