KinCore

Ligand: G5C

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%	7CLHA

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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
OTHER	TTK	TTK_HUMAN	7CLHA	P33981	516	795	857.0	G5C:801	Type1	Inactive	DFGin	4.3116	14.6343	ABAminus	-128.87, -39.46	-112.78, 121.46	-81.6, 17.57	300.39, 1.38	66.14, 9.26	out-out	out	10.9601	Saltbr-out	4.4183	HRD-in	-65.1, -39.58	41.54, 27.85	out-out-out	SNCooo	out-out	ActLoopNT-out	12.3383	ActLoopCT-out	nonTYR	APEdihe_aaini	APEdist_nnoo	APE10-dihe-na	999.0, 124.23	APE9-dihe-na	-106.52, -148.21	APE8-dihe-in	-158.76, 155.6	APE8-rot-none	999.0	APE67-dihe-in	-62.14, -23.44	-138.79, 13.28	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	20.4761	APE9-dist-out	12.4508	None	TPO675,TPO676,SEP677,TPO686	TPO675,TPO676,SEP677,TPO686	XRAY	2.9	0.21	0.272	A	283.0	260.0	20	30	21	9	[[525, 791]]	1.0	7clh	OTHER_TTK_HUMAN	CAMK	5.7e-54	189.1	1.0	256.0	256.0	663	664	665	667	669	553	571	575	644	646	645	647.0	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK

Ligand: G5C

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%	7CLHA

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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
OTHER	TTK	TTK_HUMAN	7CLHA	P33981	516	795	857.0	G5C:801	Type1	Inactive	DFGin	4.3116	14.6343	ABAminus	-128.87, -39.46	-112.78, 121.46	-81.6, 17.57	300.39, 1.38	66.14, 9.26	out-out	out	10.9601	Saltbr-out	4.4183	HRD-in	-65.1, -39.58	41.54, 27.85	out-out-out	SNCooo	out-out	ActLoopNT-out	12.3383	ActLoopCT-out	nonTYR	APEdihe_aaini	APEdist_nnoo	APE10-dihe-na	999.0, 124.23	APE9-dihe-na	-106.52, -148.21	APE8-dihe-in	-158.76, 155.6	APE8-rot-none	999.0	APE67-dihe-in	-62.14, -23.44	-138.79, 13.28	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	20.4761	APE9-dist-out	12.4508	None	TPO675,TPO676,SEP677,TPO686	TPO675,TPO676,SEP677,TPO686	XRAY	2.9	0.21	0.272	A	283.0	260.0	20	30	21	9	[[525, 791]]	1.0	7clh	Homo sapiens	OTHER_TTK_HUMAN	CAMK	5.7e-54	189.1	1.0	256.0	256.0	663	664	665	667	669	553	571	575	644	646	645	647.0	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK

Ligand: G5C

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