KinCore

Ligand: QCT

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	2	100.0%	8EQ5A

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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	RPS6KA3-1	KS6A3_HUMAN	8EQ5A	P51812	49	346	740.0	QCT:401	Type1	Inactive	DFGout	22.266	9.787	None	-73.88, 137.17	-86.9, 13.11	-125.85, 163.49	50.35, 92.47	-96.22, 152.3	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-78.97, -41.58	76.84, -49.89	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.409	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-123.13, 112.05	APE9-dihe-na	-120.61, 174.84	APE8-dihe-in	-88.65, 114.78	APE8-rot-in	305.94	APE67-dihe-in	-62.47, -20.15	-62.23, -32.4	APE12-dist-in	13.883	APE11-dist-in	11.461	APE10-dist-out	9.67	APE9-dist-out	7.056	None	None	None	XRAY	1.8	0.185	0.225	A	305	289	9	0	0	2	[[68, 327], [422, 679]]	2.0	8eq5	AGC_RPS6KA3-1_HUMAN	AGC	2.1e-97	331.2	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3
AGC	RPS6KA3-1	KS6A3_HUMAN	8R58A	P51812	49	348	740.0	QCT:401	Type1	Inactive	DFGout	22.723	9.734	None	-69.6, 133.49	-81.98, 4.89	-117.98, 155.18	46.12, 100.26	-81.19, 145.71	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-81.36, -38.11	64.12, -42.77	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.002	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioo	APE10-dihe-na	-64.62, 110.24	APE9-dihe-na	-140.48, 179.06	APE8-dihe-in	-91.85, 110.78	APE8-rot-in	305.36	APE67-dihe-in	-59.58, -23.45	-59.81, -33.88	APE12-dist-none	999.0	APE11-dist-in	11.825	APE10-dist-out	8.908	APE9-dist-out	7.055	None	None	None	XRAY	2.31	0.238	0.263	A	317	282	18	0	0	11	[[68, 327], [422, 679]]	2.0	8r58	AGC_RPS6KA3-1_HUMAN	AGC	2.4e-97	331.0	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3

Ligand: QCT

Total number of chains: 3

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	3	100.0%	8EQ5A

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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	RPS6KA3-1	KS6A3_HUMAN	8EQ5A	P51812	49	346	740.0	QCT:401	Type1	Inactive	DFGout	22.266	9.787	None	-73.88, 137.17	-86.9, 13.11	-125.85, 163.49	50.35, 92.47	-96.22, 152.3	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-78.97, -41.58	76.84, -49.89	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.409	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioo	APE10-dihe-na	-123.13, 112.05	APE9-dihe-na	-120.61, 174.84	APE8-dihe-in	-88.65, 114.78	APE8-rot-in	305.94	APE67-dihe-in	-62.47, -20.15	-62.23, -32.4	APE12-dist-in	13.883	APE11-dist-in	11.461	APE10-dist-out	9.67	APE9-dist-out	7.056	None	None	None	XRAY	1.8	0.185	0.225	A	305	289	9	0	0	2	[[68, 327], [422, 679]]	2.0	8eq5	Homo sapiens	AGC_RPS6KA3-1_HUMAN	AGC	2.1e-97	331.2	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3
AGC	RPS6KA3-1	KS6A3_HUMAN	8R58A	P51812	49	348	740.0	QCT:401	Type1	Inactive	DFGout	22.723	9.734	None	-69.6, 133.49	-81.98, 4.89	-117.98, 155.18	46.12, 100.26	-81.19, 145.71	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-81.36, -38.11	64.12, -42.77	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.002	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nioo	APE10-dihe-na	-64.62, 110.24	APE9-dihe-na	-140.48, 179.06	APE8-dihe-in	-91.85, 110.78	APE8-rot-in	305.36	APE67-dihe-in	-59.58, -23.45	-59.81, -33.88	APE12-dist-none	999.0	APE11-dist-in	11.825	APE10-dist-out	8.908	APE9-dist-out	7.055	None	None	None	XRAY	2.31	0.238	0.263	A	317	282	18	0	0	11	[[68, 327], [422, 679]]	2.0	8r58	Homo sapiens	AGC_RPS6KA3-1_HUMAN	AGC	2.4e-97	331.0	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3
AGC	RPS6KA3-1	KS6A3_MOUSE	4GUEA	P18654	48	346	740.0	QCT:401	Type1	Inactive	DFGout	22.498	9.854	None	-76.85, 138.45	-89.03, 9.91	-123.65, 154.79	53.62, 94.84	-83.43, 143.84	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-75.45, -44.65	78.33, -54.21	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.451	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioo	APE10-dihe-na	-130.21, 92.23	APE9-dihe-na	-99.38, 166.62	APE8-dihe-in	-88.89, 109.57	APE8-rot-in	300.88	APE67-dihe-in	-54.39, -25.95	-55.17, -36.68	APE12-dist-out	14.033	APE11-dist-in	11.666	APE10-dist-out	10.001	APE9-dist-out	6.854	None	None	None	XRAY	1.8	0.173	0.205	A	305	286	13	0	0	5	[[68, 327], [422, 679]]	2.0	4gue	Mus musculus	AGC_RPS6KA3-1_MOUSE	AGC	2.1e-97	331.2	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3

Ligand: QCT

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	1	100.0%	4GUEA

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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	RPS6KA3-1	KS6A3_MOUSE	4GUEA	P18654	48	346	740.0	QCT:401	Type1	Inactive	DFGout	22.498	9.854	None	-76.85, 138.45	-89.03, 9.91	-123.65, 154.79	53.62, 94.84	-83.43, 143.84	none-none	none	999.0	Saltbr-none	999.0	HRD-in	-75.45, -44.65	78.33, -54.21	none-out-out	SNCnoo	out-out	ActLoopNT-out	15.451	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioo	APE10-dihe-na	-130.21, 92.23	APE9-dihe-na	-99.38, 166.62	APE8-dihe-in	-88.89, 109.57	APE8-rot-in	300.88	APE67-dihe-in	-54.39, -25.95	-55.17, -36.68	APE12-dist-out	14.033	APE11-dist-in	11.666	APE10-dist-out	10.001	APE9-dist-out	6.854	None	None	None	XRAY	1.8	0.173	0.205	A	305	286	13	0	0	5	[[68, 327], [422, 679]]	2.0	4gue	Mus musculus	AGC_RPS6KA3-1_MOUSE	AGC	2.1e-97	331.2	1	260	260	210	211	212	214	216	100	118	122	190	192	191	193	250	238	233	232	231	230	229	228	227	148	Ribosomal protein S6 kinase alpha-3