KinCore

PDB: 4REW — CAMK AAPK1_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	4REWA

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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
CAMK	PRKAA1	AAPK1_HUMAN	4REWA	Q13131	20	559	559.0	STU:60601	Type1	Inactive	DFGin	6.2816	14.4447	None	-106.98, -78.3	-79.98, 116.66	-98.66, 4.74	266.69, 106.69	-52.57, -49.44	out-out	out	10.8944	Saltbr-out	4.8489	HRD-out	-91.4, 104.28	-79.59, -35.51	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9485	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iiio	APE10-dihe-na	-146.3, 177.71	APE9-dihe-na	92.22, 179.97	APE8-dihe-in	-62.77, 176.84	APE8-rot-in	309.53	APE67-dihe-in	-79.73, -37.36	-85.43, -26.86	APE12-dist-in	9.0318	APE11-dist-in	10.9116	APE10-dist-in	6.0735	APE9-dist-out	7.1663	E480G,E483A,K485A	None	None	XRAY	4.58	0.234	0.259	A	540.0	411.0	0	27	27	0	[[27, 279]]	1.0	4rew	CAMK_PRKAA1_HUMAN	CAMK	8.5e-89	303.4	1.0	256.0	256.0	167	168	169	171	173	56	75	79	147	149	148	150.0	207	194	189	188	187	186	185	184	183	105	5'-AMP-activated protein kinase catalytic subunit alpha-1

PDB: 4REW — CAMK AAPK1_HUMAN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	None	1	100.0%	4REWA

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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	PRKAA1	AAPK1_HUMAN	4REWA	Q13131	20	559	559.0	STU:60601	Type1	Inactive	DFGin	6.2816	14.4447	None	-106.98, -78.3	-79.98, 116.66	-98.66, 4.74	266.69, 106.69	-52.57, -49.44	out-out	out	10.8944	Saltbr-out	4.8489	HRD-out	-91.4, 104.28	-79.59, -35.51	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9485	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iiio	APE10-dihe-na	-146.3, 177.71	APE9-dihe-na	92.22, 179.97	APE8-dihe-in	-62.77, 176.84	APE8-rot-in	309.53	APE67-dihe-in	-79.73, -37.36	-85.43, -26.86	APE12-dist-in	9.0318	APE11-dist-in	10.9116	APE10-dist-in	6.0735	APE9-dist-out	7.1663	E480G,E483A,K485A	None	None	XRAY	4.58	0.234	0.259	A	540.0	411.0	0	27	27	0	[[27, 279]]	1.0	4rew	Homo sapiens	CAMK_PRKAA1_HUMAN	CAMK	8.5e-89	303.4	1.0	256.0	256.0	167	168	169	171	173	56	75	79	147	149	148	150.0	207	194	189	188	187	186	185	184	183	105	5'-AMP-activated protein kinase catalytic subunit alpha-1

PDB: 4REW — CAMK AAPK1_HUMAN

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	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