KinCore

Ligand: HTV

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: HTV

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	1	100.0%	6E4TA

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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_RAT	6E4TA	P54645	20	559	559.0	HTV:60601,STU:60602	Allosteric,Type1	Inactive	DFGin	7.4354	14.2606	ABAminus	-127.14, -39.21	-103.64, 92.84	-85.31, 24.03	289.4, 72.26	-73.07, -34.04	out-in	out	10.0186	Saltbr-in	3.1477	HRD-out	-67.59, 99.51	-83.8, 164.42	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8682	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiio	APE10-dihe-na	-86.15, 147.86	APE9-dihe-na	86.15, 170.33	APE8-dihe-in	-53.88, 128.36	APE8-rot-out	178.71	APE67-dihe-in	-78.32, -32.83	-55.05, -15.97	APE12-dist-in	7.7373	APE11-dist-in	10.9496	APE10-dist-in	5.1078	APE9-dist-out	6.0467	None	TPO183	TPO183	XRAY	3.4	0.218	0.245	A	503.0	362.0	0	27	27	0	[[27, 279]]	1.0	6e4t	Rattus norvegicus	CAMK_PRKAA1_RAT	CAMK	3.9e-89	304.5	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

Ligand: HTV

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	1	100.0%	6E4TA

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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_RAT	6E4TA	P54645	20	559	559.0	HTV:60601,STU:60602	Allosteric,Type1	Inactive	DFGin	7.4354	14.2606	ABAminus	-127.14, -39.21	-103.64, 92.84	-85.31, 24.03	289.4, 72.26	-73.07, -34.04	out-in	out	10.0186	Saltbr-in	3.1477	HRD-out	-67.59, 99.51	-83.8, 164.42	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8682	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiio	APE10-dihe-na	-86.15, 147.86	APE9-dihe-na	86.15, 170.33	APE8-dihe-in	-53.88, 128.36	APE8-rot-out	178.71	APE67-dihe-in	-78.32, -32.83	-55.05, -15.97	APE12-dist-in	7.7373	APE11-dist-in	10.9496	APE10-dist-in	5.1078	APE9-dist-out	6.0467	None	TPO183	TPO183	XRAY	3.4	0.218	0.245	A	503.0	362.0	0	27	27	0	[[27, 279]]	1.0	6e4t	Rattus norvegicus	CAMK_PRKAA1_RAT	CAMK	3.9e-89	304.5	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