KinCore

PDB: 7JUX — 2 kinases

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	7JUXA

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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
TKL	KSR1	KSR1_HUMAN	7JUXA	Q8IVT5	600	881	923.0	ANP:901	ATPlike	Pseudo	DFGin	5.302	12.887	BLBplus	-130.76, 153.55	60.79, 41.41	-77.85, 152.64	59.13, 80.46	58.16, 12.6	out-none	out	13.586	Saltbr-none	999.0	HRD-out	-82.48, 84.18	-62.97, 148.26	none-out-out	SNCnoo	out-out	ActLoopNT-out	7.062	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-85.2, -42.07	APE9-dihe-na	-55.8, -29.41	APE8-dihe-out	-77.82, -37.67	APE8-rot-na	188.53	APE67-dihe-in	-61.89, -19.45	-62.94, -36.24	APE12-dist-out	17.427	APE11-dist-out	16.235	APE10-dist-out	20.624	APE9-dist-out	14.057	None	None	None	XRAY	3.34	0.265	0.283	A	334	278	4	0	0	4	[[613, 879]]	1.0	7jux	TKL_KSR1_HUMAN	TKL	3.8e-68	235.9	2	267	266	749	750	751	753	755	639	657	661	730	732	731	733	803	782	777	776	775	774	773	772	771	687	Kinase suppressor of Ras 1

PDB: 7JUX — 2 kinases

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	2	100.0%	7JUXA

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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
TKL	KSR1	KSR1_HUMAN	7JUXA	Q8IVT5	600	881	923.0	ANP:901	ATPlike	Pseudo	DFGin	5.302	12.887	BLBplus	-130.76, 153.55	60.79, 41.41	-77.85, 152.64	59.13, 80.46	58.16, 12.6	out-none	out	13.586	Saltbr-none	999.0	HRD-out	-82.48, 84.18	-62.97, 148.26	none-out-out	SNCnoo	out-out	ActLoopNT-out	7.062	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-85.2, -42.07	APE9-dihe-na	-55.8, -29.41	APE8-dihe-out	-77.82, -37.67	APE8-rot-na	188.53	APE67-dihe-in	-61.89, -19.45	-62.94, -36.24	APE12-dist-out	17.427	APE11-dist-out	16.235	APE10-dist-out	20.624	APE9-dist-out	14.057	None	None	None	XRAY	3.34	0.265	0.283	A	334	278	4	0	0	4	[[613, 879]]	1.0	7jux	Homo sapiens	TKL_KSR1_HUMAN	TKL	3.8e-68	235.9	2	267	266	749	750	751	753	755	639	657	661	730	732	731	733	803	782	777	776	775	774	773	772	771	687	Kinase suppressor of Ras 1
STE	MAP2K1	MP2K1_RABIT	7JUXC	P29678	40	381	393.0	ANP:401,QOM:402	ATPlike,Type3	Inactive	DFGin	6.428	14.356	BLBplus	-129.48, -171.66	44.07, 32.82	-84.98, 164.12	41.6, 98.75	-82.14, 71.95	out-out	out	17.586	Saltbr-out	20.192	HRD-in	-72.38, -56.06	82.77, -10.45	out-out-out	SNCooo	out-out	ActLoopNT-out	9.197	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-105.79, 149.07	APE9-dihe-na	-128.12, -140.49	APE8-dihe-out	-102.97, -28.75	APE8-rot-out	180.26	APE67-dihe-out	-123.35, 132.01	-101.05, 135.7	APE12-dist-out	15.961	APE11-dist-out	18.645	APE10-dist-out	21.127	APE9-dist-out	13.976	None	None	None	XRAY	3.34	0.265	0.283	C	384	308	34	0	0	0	[[68, 361]]	1.0	7jux	Oryctolagus cuniculus	STE_MAP2K1_RABIT	STE	2.3e-97	331.4	1	257	257	207	208	209	211	213	97	114	118	187	189	188	190	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1

PDB: 7JUX — 2 kinases

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	7JUXC

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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
STE	MAP2K1	MP2K1_RABIT	7JUXC	P29678	40	381	393.0	ANP:401,QOM:402	ATPlike,Type3	Inactive	DFGin	6.428	14.356	BLBplus	-129.48, -171.66	44.07, 32.82	-84.98, 164.12	41.6, 98.75	-82.14, 71.95	out-out	out	17.586	Saltbr-out	20.192	HRD-in	-72.38, -56.06	82.77, -10.45	out-out-out	SNCooo	out-out	ActLoopNT-out	9.197	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-105.79, 149.07	APE9-dihe-na	-128.12, -140.49	APE8-dihe-out	-102.97, -28.75	APE8-rot-out	180.26	APE67-dihe-out	-123.35, 132.01	-101.05, 135.7	APE12-dist-out	15.961	APE11-dist-out	18.645	APE10-dist-out	21.127	APE9-dist-out	13.976	None	None	None	XRAY	3.34	0.265	0.283	C	384	308	34	0	0	0	[[68, 361]]	1.0	7jux	Oryctolagus cuniculus	STE_MAP2K1_RABIT	STE	2.3e-97	331.4	1	257	257	207	208	209	211	213	97	114	118	187	189	188	190	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1