3OQM

structure of ccpa-hpr-ser46p-acka2 complex

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 211
  • Norm. En. per Res.: -3.182
• 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-S	-6.3117	-22.0131	-144.238	-172.5628	76	9	4	6568	3	16	16
A-C	-107.8805	-96.6826	-466.846	-671.4091	211	57	16	22014	14	39	52
A-D	0.0	-6.5761	-3.4512	-10.0272	7	2	0	148	0	2	3
S-C	0.0	-10.5048	-0.48	-10.9848	4	0	0	65	0	2	3
C-D	-9.1531	-9.6877	-146.638	-165.4789	78	13	4	6740	3	14	15

Interface residues

• A-S: ALA10S, ALA16S, ALA19S, ALA300A, ALA302A, ALA56S, ALA87A, ARG17S, ARG304A, ARG325A, ARG329A, ARG81A, ASN277A, ASN43S, ASP11S, ASP297A, ASP85A, GLN24S, GLU316A, GLU317A, GLU321A, GLU327A, GLU78A, GLU84A, GLY13S, GLY299A, GLY49S, GLY54S, GLY82A, HIS15S, HIS318A, HIS324A, ILE14S, ILE298A, ILE319A, ILE47S, ILE55S, ILE86A, LEU282A, LEU305A, LEU306A, LEU309A, LEU322A, LEU44S, LEU53S, LYS308A, LYS45S, LYS57S, LYS91A, MET303A, MET48S, MET51S, MET89A, PRO18S, PRO294A, PRO323A, SER12S, SER157A, SER27S, SER52S, THR20S, THR295A, THR307A, THR88A, TYR296A, TYR37S, TYR90A, VAL144A, VAL158A, VAL21S, VAL23S, VAL292A, VAL301A, VAL315A, VAL320A, VAL50S
• A-C: ALA134C, ALA252A, ALA252C, ALA258A, ALA258C, ALA259A, ALA259C, ALA51A, ALA51C, ALA53A, ALA53C, ALA57A, ALA57C, ALA80A, ALA80C, ALA87A, ALA87C, ARG138A, ARG138C, ARG279A, ARG279C, ARG285A, ARG285C, ARG48A, ARG48C, ARG54A, ARG54C, ARG81A, ARG81C, ASN111A, ASN111C, ASN3A, ASN3C, ASN50A, ASN50C, ASN93A, ASN93C, ASN98A, ASN98C, ASP100A, ASP100C, ASP119A, ASP119C, ASP225A, ASP225C, ASP249A, ASP249C, ASP261A, ASP261C, ASP70A, ASP70C, ASP85A, ASP85C, GLN101A, GLN101C, GLN117A, GLN117C, GLN260A, GLN260C, GLN262A, GLN287A, GLN287C, GLU135A, GLU135C, GLU250A, GLU250C, GLU78A, GLU78C, GLU84A, GLU84C, GLY115A, GLY115C, GLY227A, GLY254A, GLY254C, GLY46A, GLY46C, GLY55A, GLY55C, GLY65A, GLY65C, GLY82A, GLY82C, HIS108A, HIS108C, HIS257A, HIS257C, ILE143C, ILE255A, ILE256A, ILE256C, ILE4A, ILE67C, ILE68A, ILE68C, ILE71A, ILE71C, ILE74A, ILE74C, ILE83A, ILE83C, ILE94A, ILE94C, ILE95A, ILE95C, LEU109A, LEU109C, LEU110A, LEU110C, LEU114A, LEU114C, LEU228A, LEU228C, LEU253A, LEU253C, LEU280A, LEU280C, LEU282A, LEU282C, LEU56A, LEU56C, LEU79A, LEU79C, LEU96A, LEU96C, LYS105A, LYS105C, LYS116A, LYS116C, LYS137C, LYS330C, LYS59A, LYS59C, LYS60A, LYS60C, LYS91A, LYS91C, MET113A, MET113C, MET251A, MET251C, MET283A, MET283C, MET2A, MET2C, MET89A, PHE136C, PHE75A, PHE75C, PRO140A, PRO140C, PRO286A, PRO286C, PRO49A, PRO49C, PRO69A, PRO69C, SER139A, SER139C, SER226C, SER58A, SER58C, SER72A, SER72C, SER73A, SER73C, SER77A, SER77C, SER97A, SER97C, SER99A, SER99C, THR112A, THR112C, THR223A, THR223C, THR248A, THR278A, THR5A, THR5C, THR61A, THR61C, THR62A, THR62C, THR63A, THR63C, THR88A, THR88C, TYR222A, TYR222C, TYR224A, TYR224C, TYR296A, TYR296C, TYR47A, TYR76A, TYR76C, TYR92A, TYR92C, VAL118A, VAL118C, VAL141A, VAL141C, VAL284A, VAL284C, VAL52A, VAL52C, VAL64A, VAL64C, VAL66A, VAL66C
• A-D: ARG17D, ASN98A, ASP100A, ASP70A, ILE71A, SER72A, SER73A
• S-C: ARG17S, ASN98C, ASP100C, LYS105C
• C-D: ALA10D, ALA16D, ALA19D, ALA300C, ALA302C, ALA56D, ALA80C, ALA87C, ARG17D, ARG279C, ARG304C, ARG325C, ARG329C, ARG81C, ASN277C, ASN43D, ASP11D, ASP297C, ASP85C, GLN24D, GLU316C, GLU317C, GLU321C, GLU327C, GLU78C, GLU84C, GLY13D, GLY299C, GLY49D, GLY54D, GLY82C, HIS15D, HIS318C, HIS324C, ILE14D, ILE298C, ILE319C, ILE47D, ILE55D, ILE86C, LEU282C, LEU305C, LEU306C, LEU309C, LEU322C, LEU53D, LEU79C, LYS308C, LYS45D, LYS57D, LYS91C, MET303C, MET48D, MET51D, MET89C, PRO18D, PRO294C, PRO323C, SER12D, SER157C, SER27D, SER52D, SER77C, THR20D, THR295C, THR307C, THR88C, TYR296C, TYR90C, VAL144C, VAL158C, VAL21D, VAL23D, VAL292C, VAL301C, VAL315C, VAL320C, VAL50D