KinCore

PDB: 4L46 — AGC KS6B1_HUMAN

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%	4L46A

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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
AGC	RPS6KB1	KS6B1_HUMAN	4L46A	P23443	80	417	525.0	5FI:60401	Type1	Inactive	DFGin	7.2408	14.4444	ABAminus	-128.62, -46.06	-107.19, 113.68	-124.45, -8.59	294.14, 89.1	-97.33, -135.09	in-in	in	8.9085	Saltbr-in	3.0249	HRD-out	-53.09, -17.17	51.06, -128.85	in-out-out	SNCioo	out-out	ActLoopNT-out	15.2515	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-88.19, -33.47	APE9-dihe-na	-130.34, -153.74	APE8-dihe-in	-66.16, 132.01	APE8-rot-out	141.11	APE67-dihe-in	-64.11, -10.28	-108.34, -0.39	APE12-dist-in	12.109	APE11-dist-out	14.4188	APE10-dist-out	9.8105	APE9-dist-out	13.0047	None	TPO412	TPO412	XRAY	3.01	0.22	0.269	A	346.0	318.0	4	28	24	4	[[91, 352]]	1.0	4l46	AGC_RPS6KB1_HUMAN	AGC	5.5e-96	326.6	1.0	260.0	260.0	235	236	237	239	241	123	143	147	215	217	216	218.0	275	263	258	257	256	255	254	253	252	173	Ribosomal protein S6 kinase beta-1

PDB: 4L46 — AGC KS6B1_HUMAN

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%	4L46A

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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
AGC	RPS6KB1	KS6B1_HUMAN	4L46A	P23443	80	417	525.0	5FI:60401	Type1	Inactive	DFGin	7.2408	14.4444	ABAminus	-128.62, -46.06	-107.19, 113.68	-124.45, -8.59	294.14, 89.1	-97.33, -135.09	in-in	in	8.9085	Saltbr-in	3.0249	HRD-out	-53.09, -17.17	51.06, -128.85	in-out-out	SNCioo	out-out	ActLoopNT-out	15.2515	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-88.19, -33.47	APE9-dihe-na	-130.34, -153.74	APE8-dihe-in	-66.16, 132.01	APE8-rot-out	141.11	APE67-dihe-in	-64.11, -10.28	-108.34, -0.39	APE12-dist-in	12.109	APE11-dist-out	14.4188	APE10-dist-out	9.8105	APE9-dist-out	13.0047	None	TPO412	TPO412	XRAY	3.01	0.22	0.269	A	346.0	318.0	4	28	24	4	[[91, 352]]	1.0	4l46	Homo sapiens	AGC_RPS6KB1_HUMAN	AGC	5.5e-96	326.6	1.0	260.0	260.0	235	236	237	239	241	123	143	147	215	217	216	218.0	275	263	258	257	256	255	254	253	252	173	Ribosomal protein S6 kinase beta-1

PDB: 4L46 — AGC KS6B1_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