KinCore

PDB: 3WE4 — 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%	3WE4A

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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	3WE4A	P23443	85	374	525.0	5FI:402	Type1	Inactive	DFGin	7.0202	14.7329	ABAminus	-125.47, -18.75	-95.38, 90.84	-122.57, 0.96	296.46, 95.2	-120.64, -158.24	in-in	in	8.9827	Saltbr-in	2.7951	HRD-in	-79.06, -32.34	75.27, -49.87	in-out-out	SNCioo	out-out	ActLoopNT-out	14.5697	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-76.57, -30.69	APE9-dihe-na	-111.67, -160.44	APE8-dihe-in	-65.24, 142.31	APE8-rot-out	177.96	APE67-dihe-in	-64.53, -17.87	-105.62, 6.77	APE12-dist-in	11.7763	APE11-dist-out	14.0186	APE10-dist-out	9.5211	APE9-dist-out	11.6587	None	TPO252	TPO252	XRAY	1.995	0.177	0.231	A	329.0	287.0	3	28	25	3	[[91, 352]]	1.0	3we4	AGC_RPS6KB1_HUMAN	AGC	4.7e-96	326.8	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: 3WE4 — 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%	3WE4A

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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	3WE4A	P23443	85	374	525.0	5FI:402	Type1	Inactive	DFGin	7.0202	14.7329	ABAminus	-125.47, -18.75	-95.38, 90.84	-122.57, 0.96	296.46, 95.2	-120.64, -158.24	in-in	in	8.9827	Saltbr-in	2.7951	HRD-in	-79.06, -32.34	75.27, -49.87	in-out-out	SNCioo	out-out	ActLoopNT-out	14.5697	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-76.57, -30.69	APE9-dihe-na	-111.67, -160.44	APE8-dihe-in	-65.24, 142.31	APE8-rot-out	177.96	APE67-dihe-in	-64.53, -17.87	-105.62, 6.77	APE12-dist-in	11.7763	APE11-dist-out	14.0186	APE10-dist-out	9.5211	APE9-dist-out	11.6587	None	TPO252	TPO252	XRAY	1.995	0.177	0.231	A	329.0	287.0	3	28	25	3	[[91, 352]]	1.0	3we4	Homo sapiens	AGC_RPS6KB1_HUMAN	AGC	4.7e-96	326.8	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: 3WE4 — 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