KinCore

Ligand: D0S

Total number of chains: 0

Active chains: 0

Total number of genes: 0

Spatial label	Dihedral label	Number of Chains	Percent	Representative

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name

Ligand: D0S

Total number of chains: 4

Active chains: 4

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	6BABA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
CAMK	CAMK2D	KCC2D_MOUSE	6BABA	Q6PHZ2	11	300	499.0	D0S:60401	Type1	Active	DFGin	6.434	13.672	BLAminus	-128.46, 167.61	64.72, 89.3	-97.86, 28.37	292.6, 79.67	-64.04, -23.93	in-in	in	8.966	Saltbr-in	2.693	HRD-in	-73.05, -47.45	75.62, -4.08	in-in-in	SNCiii	in-in	ActLoopNT-in	2.869	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-148.58, 152.94	APE9-dihe-na	125.13, -172.88	APE8-dihe-in	-107.35, 130.65	APE8-rot-in	302.77	APE67-dihe-in	-57.0, -18.24	-42.76, -53.6	APE12-dist-in	10.348	APE11-dist-in	11.395	APE10-dist-in	5.685	APE9-dist-in	3.591	None	None	None	XRAY	1.91	0.191	0.253	A	302	290	0	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABB	Q6PHZ2	13	301	499.0	D0S:60401	Type1	Active	DFGin	6.535	13.925	BLAminus	-124.03, 170.27	57.01, 92.88	-98.55, 29.41	286.57, 76.55	-64.39, -26.12	in-in	in	8.788	Saltbr-in	2.695	HRD-in	-68.63, -46.94	68.55, -1.74	in-in-in	SNCiii	in-in	ActLoopNT-in	2.994	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-152.44, 140.93	APE9-dihe-na	132.51, -177.47	APE8-dihe-in	-104.73, 132.03	APE8-rot-in	302.85	APE67-dihe-in	-65.71, -16.01	-44.83, -47.92	APE12-dist-in	10.745	APE11-dist-in	11.115	APE10-dist-in	5.541	APE9-dist-in	3.6	None	None	None	XRAY	1.91	0.191	0.253	B	302	285	4	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABC	Q6PHZ2	13	300	499.0	D0S:60401	Type1	Active	DFGin	6.395	13.775	BLAminus	-129.26, 163.64	65.29, 99.74	-105.31, 26.69	290.73, 78.05	-63.58, -23.08	in-in	in	9.12	Saltbr-in	2.382	HRD-in	-68.77, -48.53	77.55, -12.58	in-in-in	SNCiii	in-in	ActLoopNT-in	2.906	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-141.57, 154.12	APE9-dihe-na	128.46, 172.92	APE8-dihe-in	-92.7, 129.68	APE8-rot-in	287.18	APE67-dihe-in	-70.2, -9.32	-41.62, -51.68	APE12-dist-in	10.625	APE11-dist-in	11.535	APE10-dist-in	5.779	APE9-dist-in	3.737	None	None	None	XRAY	1.91	0.191	0.253	C	302	284	4	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABD	Q6PHZ2	9	300	499.0	D0S:60401	Type1	Active	DFGin	6.518	13.99	BLAminus	-125.21, 168.26	61.35, 91.2	-99.43, 29.39	287.39, 74.4	-63.27, -28.43	in-in	in	8.779	Saltbr-in	2.464	HRD-in	-75.48, -45.49	74.44, -3.14	in-in-in	SNCiii	in-in	ActLoopNT-in	2.861	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-162.25, 152.93	APE9-dihe-na	120.97, -176.88	APE8-dihe-in	-104.52, 129.85	APE8-rot-in	296.8	APE67-dihe-in	-66.8, -16.78	-44.92, -46.52	APE12-dist-in	10.756	APE11-dist-in	11.216	APE10-dist-in	5.675	APE9-dist-in	3.66	None	None	None	XRAY	1.91	0.191	0.253	D	302	292	0	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta

Ligand: D0S

Total number of chains: 4

Active chains: 4

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	6BABA

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Group	Gene	SwissprotID	PDB	UniprotID	First_obs_res	Last_obs_res	Length_Unp	Ligand	Ligand_type	Activity_label	Spatial_label	Phe_Glu4_dis	Phe_Lys_dis	Dihedral_label	XDFG φ,ψ	DFG-Asp φ,ψ	DFG-Phe φ,ψ	DFG-Phe χ1,χ2	DFG-Gly φ,ψ	ChelixSaltbr_label	Chelix_label	Lys_Glu_dis	Saltbr_label	LysNZ_GluOE_dis	HRD_label	His φ,ψ	Arg φ,ψ	SNC_label	SNCpymol_label	ActLoop_label	ActLoopNT_label	DFG6_XHRD_dis	ActLoopCT_label	APEtype	APEdihe_label	APEdist_label	APE10_dihe_label	APE10 φ,ψ	APE9_dihe_label	APE9 φ,ψ	APE8_dihe_label	APE8 φ,ψ	APE8_rotamer_label	APE8 χ1	APE67_label	APE6 φ,ψ	APE7 φ,ψ	APE12_dist_label	APE12_DFG4_dis	APE11_dist_label	APE11_DFG4_dis	APE10_dist_label	APE10_DFG4_dis	APE9_dist_label	APE9_Arg_dis	Chain_mut	Chain_phos	Modified_aa	Method	Resolution	Rvalue	FreeRvalue	Chain_id	ChainLen	Ordered_residues	DomainBreak	ActLoopLength	ActLoopResolvedResidues	ActLoopDisorderedResidues	Kinase_domains_Unp	N_Kinase_domains_Unp	pdb	Species	Kincore_name	hmm	Evalue	Score	hmmbeg	hmmend	hmmlen	XDFGnum	DFGnum	PHEnum	DFG4num	DFG6num	LYSnum	GLUnum	GLU4num	XHRDnum	ARGnum	HRDnum	HRDaspnum	aFaspnum	APEnum	APE6num	APE7num	APE8num	APE9num	APE10num	APE11num	APE12num	Hinge1num	Protein_name
CAMK	CAMK2D	KCC2D_MOUSE	6BABA	Q6PHZ2	11	300	499.0	D0S:60401	Type1	Active	DFGin	6.434	13.672	BLAminus	-128.46, 167.61	64.72, 89.3	-97.86, 28.37	292.6, 79.67	-64.04, -23.93	in-in	in	8.966	Saltbr-in	2.693	HRD-in	-73.05, -47.45	75.62, -4.08	in-in-in	SNCiii	in-in	ActLoopNT-in	2.869	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-148.58, 152.94	APE9-dihe-na	125.13, -172.88	APE8-dihe-in	-107.35, 130.65	APE8-rot-in	302.77	APE67-dihe-in	-57.0, -18.24	-42.76, -53.6	APE12-dist-in	10.348	APE11-dist-in	11.395	APE10-dist-in	5.685	APE9-dist-in	3.591	None	None	None	XRAY	1.91	0.191	0.253	A	302	290	0	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABB	Q6PHZ2	13	301	499.0	D0S:60401	Type1	Active	DFGin	6.535	13.925	BLAminus	-124.03, 170.27	57.01, 92.88	-98.55, 29.41	286.57, 76.55	-64.39, -26.12	in-in	in	8.788	Saltbr-in	2.695	HRD-in	-68.63, -46.94	68.55, -1.74	in-in-in	SNCiii	in-in	ActLoopNT-in	2.994	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-152.44, 140.93	APE9-dihe-na	132.51, -177.47	APE8-dihe-in	-104.73, 132.03	APE8-rot-in	302.85	APE67-dihe-in	-65.71, -16.01	-44.83, -47.92	APE12-dist-in	10.745	APE11-dist-in	11.115	APE10-dist-in	5.541	APE9-dist-in	3.6	None	None	None	XRAY	1.91	0.191	0.253	B	302	285	4	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABC	Q6PHZ2	13	300	499.0	D0S:60401	Type1	Active	DFGin	6.395	13.775	BLAminus	-129.26, 163.64	65.29, 99.74	-105.31, 26.69	290.73, 78.05	-63.58, -23.08	in-in	in	9.12	Saltbr-in	2.382	HRD-in	-68.77, -48.53	77.55, -12.58	in-in-in	SNCiii	in-in	ActLoopNT-in	2.906	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-141.57, 154.12	APE9-dihe-na	128.46, 172.92	APE8-dihe-in	-92.7, 129.68	APE8-rot-in	287.18	APE67-dihe-in	-70.2, -9.32	-41.62, -51.68	APE12-dist-in	10.625	APE11-dist-in	11.535	APE10-dist-in	5.779	APE9-dist-in	3.737	None	None	None	XRAY	1.91	0.191	0.253	C	302	284	4	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta
CAMK	CAMK2D	KCC2D_MOUSE	6BABD	Q6PHZ2	9	300	499.0	D0S:60401	Type1	Active	DFGin	6.518	13.99	BLAminus	-125.21, 168.26	61.35, 91.2	-99.43, 29.39	287.39, 74.4	-63.27, -28.43	in-in	in	8.779	Saltbr-in	2.464	HRD-in	-75.48, -45.49	74.44, -3.14	in-in-in	SNCiii	in-in	ActLoopNT-in	2.861	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-162.25, 152.93	APE9-dihe-na	120.97, -176.88	APE8-dihe-in	-104.52, 129.85	APE8-rot-in	296.8	APE67-dihe-in	-66.8, -16.78	-44.92, -46.52	APE12-dist-in	10.756	APE11-dist-in	11.216	APE10-dist-in	5.675	APE9-dist-in	3.66	None	None	None	XRAY	1.91	0.191	0.253	D	302	292	0	0	0	0	[[14, 272]]	1.0	6bab	Mus musculus	CAMK_CAMK2D_MOUSE	CAMK	3.2e-97	330.8	1	256	256	156	157	158	160	162	43	61	65	133	135	134	136	196	184	179	178	177	176	175	174	173	91	Calcium/calmodulin-dependent protein kinase type II subunit delta