KinCore

Ligand: OWQ

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	50.0%	6YKYB
DFGinter	None	2	50.0%	6YKYD

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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
CMGC	MAPK6	MK06_HUMAN	6YKYB	Q16659	16	321	721.0	OWQ:401	Type1	Inactive	DFGin	6.872	14.229	BLAminus	-135.65, -169.72	45.42, 80.57	-90.98, 22.97	284.21, 94.98	-60.5, -31.54	in-in	in	8.744	Saltbr-in	2.849	HRD-in	-66.3, -53.61	73.11, -7.16	in-in-out	SNCiio	in-out	ActLoopNT-in	2.866	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-96.55, -13.52	APE9-dihe-na	-75.9, 130.43	APE8-dihe-in	-63.69, 130.13	APE8-rot-out	187.19	APE67-dihe-in	-51.35, -29.03	-93.29, -25.17	APE12-dist-in	12.977	APE11-dist-out	14.751	APE10-dist-out	12.447	APE9-dist-out	8.03	L290V	None	None	XRAY	2.52	0.201	0.251	B	319	289	17	0	0	6	[[20, 316]]	1.0	6yky	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYC	Q16659	13	319	721.0	OWQ:401	Type1	Inactive	DFGin	7.16	14.361	BLAminus	-137.66, -169.84	51.29, 73.15	-89.7, 25.97	286.65, 85.33	-69.13, -22.91	in-in	in	9.233	Saltbr-in	3.504	HRD-out	-71.5, 121.99	-108.85, 12.23	in-in-out	SNCiio	in-out	ActLoopNT-in	2.947	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-102.49, -28.13	APE9-dihe-na	-81.97, 142.27	APE8-dihe-in	-81.41, 134.9	APE8-rot-out	190.32	APE67-dihe-in	-48.11, -35.02	-84.72, -21.61	APE12-dist-out	15.153	APE11-dist-out	16.425	APE10-dist-out	13.271	APE9-dist-out	9.091	L290V	None	None	XRAY	2.52	0.201	0.251	C	319	283	24	0	0	9	[[20, 316]]	1.0	6yky	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYA	Q16659	18	319	721.0	OWQ:401	Type1	Inactive	DFGinter	8.827	5.003	None	-71.78, 144.73	-71.1, -32.64	-79.99, 115.19	311.82, 124.02	127.81, -16.19	in-out	in	9.812	Saltbr-out	8.13	HRD-out	-111.51, 110.19	-70.61, -5.41	out-out-out	SNCooo	out-out	ActLoopNT-out	5.241	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-91.65, 9.39	APE9-dihe-na	-95.19, 123.93	APE8-dihe-in	-73.44, 137.77	APE8-rot-out	188.34	APE67-dihe-in	-47.48, -36.76	-86.99, -20.14	APE12-dist-out	18.651	APE11-dist-out	20.197	APE10-dist-out	17.841	APE9-dist-out	8.26	L290V	None	None	XRAY	2.52	0.201	0.251	A	319	281	21	0	0	9	[[20, 316]]	1.0	6yky	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYD	Q16659	14	321	721.0	OWQ:401	Type1	Inactive	DFGinter	10.483	4.783	None	-79.21, 142.3	-63.95, -30.02	-82.92, 88.96	326.01, 122.38	148.68, -14.44	out-out	out	13.329	Saltbr-out	11.755	HRD-out	-97.47, 116.92	-79.67, -2.76	out-out-out	SNCooo	out-out	ActLoopNT-out	5.246	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-102.9, -29.99	APE9-dihe-na	-87.22, 152.15	APE8-dihe-in	-86.08, 134.07	APE8-rot-out	192.13	APE67-dihe-in	-46.65, -35.13	-86.31, -21.98	APE12-dist-out	20.076	APE11-dist-out	21.384	APE10-dist-out	18.132	APE9-dist-out	8.938	L290V	None	None	XRAY	2.52	0.201	0.251	D	319	301	7	0	0	0	[[20, 316]]	1.0	6yky	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6

Ligand: OWQ

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	50.0%	6YKYB
DFGinter	None	2	50.0%	6YKYD

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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
CMGC	MAPK6	MK06_HUMAN	6YKYB	Q16659	16	321	721.0	OWQ:401	Type1	Inactive	DFGin	6.872	14.229	BLAminus	-135.65, -169.72	45.42, 80.57	-90.98, 22.97	284.21, 94.98	-60.5, -31.54	in-in	in	8.744	Saltbr-in	2.849	HRD-in	-66.3, -53.61	73.11, -7.16	in-in-out	SNCiio	in-out	ActLoopNT-in	2.866	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iooo	APE10-dihe-na	-96.55, -13.52	APE9-dihe-na	-75.9, 130.43	APE8-dihe-in	-63.69, 130.13	APE8-rot-out	187.19	APE67-dihe-in	-51.35, -29.03	-93.29, -25.17	APE12-dist-in	12.977	APE11-dist-out	14.751	APE10-dist-out	12.447	APE9-dist-out	8.03	L290V	None	None	XRAY	2.52	0.201	0.251	B	319	289	17	0	0	6	[[20, 316]]	1.0	6yky	Homo sapiens	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYC	Q16659	13	319	721.0	OWQ:401	Type1	Inactive	DFGin	7.16	14.361	BLAminus	-137.66, -169.84	51.29, 73.15	-89.7, 25.97	286.65, 85.33	-69.13, -22.91	in-in	in	9.233	Saltbr-in	3.504	HRD-out	-71.5, 121.99	-108.85, 12.23	in-in-out	SNCiio	in-out	ActLoopNT-in	2.947	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-102.49, -28.13	APE9-dihe-na	-81.97, 142.27	APE8-dihe-in	-81.41, 134.9	APE8-rot-out	190.32	APE67-dihe-in	-48.11, -35.02	-84.72, -21.61	APE12-dist-out	15.153	APE11-dist-out	16.425	APE10-dist-out	13.271	APE9-dist-out	9.091	L290V	None	None	XRAY	2.52	0.201	0.251	C	319	283	24	0	0	9	[[20, 316]]	1.0	6yky	Homo sapiens	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYA	Q16659	18	319	721.0	OWQ:401	Type1	Inactive	DFGinter	8.827	5.003	None	-71.78, 144.73	-71.1, -32.64	-79.99, 115.19	311.82, 124.02	127.81, -16.19	in-out	in	9.812	Saltbr-out	8.13	HRD-out	-111.51, 110.19	-70.61, -5.41	out-out-out	SNCooo	out-out	ActLoopNT-out	5.241	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-91.65, 9.39	APE9-dihe-na	-95.19, 123.93	APE8-dihe-in	-73.44, 137.77	APE8-rot-out	188.34	APE67-dihe-in	-47.48, -36.76	-86.99, -20.14	APE12-dist-out	18.651	APE11-dist-out	20.197	APE10-dist-out	17.841	APE9-dist-out	8.26	L290V	None	None	XRAY	2.52	0.201	0.251	A	319	281	21	0	0	9	[[20, 316]]	1.0	6yky	Homo sapiens	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6
CMGC	MAPK6	MK06_HUMAN	6YKYD	Q16659	14	321	721.0	OWQ:401	Type1	Inactive	DFGinter	10.483	4.783	None	-79.21, 142.3	-63.95, -30.02	-82.92, 88.96	326.01, 122.38	148.68, -14.44	out-out	out	13.329	Saltbr-out	11.755	HRD-out	-97.47, 116.92	-79.67, -2.76	out-out-out	SNCooo	out-out	ActLoopNT-out	5.246	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-102.9, -29.99	APE9-dihe-na	-87.22, 152.15	APE8-dihe-in	-86.08, 134.07	APE8-rot-out	192.13	APE67-dihe-in	-46.65, -35.13	-86.31, -21.98	APE12-dist-out	20.076	APE11-dist-out	21.384	APE10-dist-out	18.132	APE9-dist-out	8.938	L290V	None	None	XRAY	2.52	0.201	0.251	D	319	301	7	0	0	0	[[20, 316]]	1.0	6yky	Homo sapiens	CMGC_MAPK6_HUMAN	CMGC	2.1e-74	256.5	1	301	301	170	171	172	174	176	49	65	69	149	151	150	152	214	201	196	195	194	193	192	191	190	109	Mitogen-activated protein kinase 6

Ligand: OWQ

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