KinCore

Ligand: SVE

Total number of chains: 3

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	3	100.0%	5NTTA

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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	5NTTA	P33981	519	797	857.0	SVE:60801	Type1	Inactive	DFGin	4.05	15.12	ABAminus	-86.34, -42.9	-137.69, 167.25	-111.84, 11.03	299.57, 162.1	66.85, 16.85	out-out	out	10.98	Saltbr-out	5.922	HRD-in	-63.1, -49.38	74.04, 9.83	out-out-out	SNCooo	out-out	ActLoopNT-out	11.501	ActLoopCT-out	nonTYR	APEdihe_aaini	APEdist_oooo	APE10-dihe-na	-72.45, -49.0	APE9-dihe-na	-71.51, -26.39	APE8-dihe-in	-34.25, 137.42	APE8-rot-none	999.0	APE67-dihe-in	-68.38, -17.02	-109.78, 8.89	APE12-dist-out	22.273	APE11-dist-out	18.532	APE10-dist-out	15.69	APE9-dist-out	11.551	C604Y	TPO686	TPO686	XRAY	2.75	0.201	0.23	A	287	269	10	0	0	0	[[525, 791]]	1.0	5ntt	OTHER_TTK_HUMAN	CAMK	4.2e-54	189.5	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK
OTHER	TTK	TTK_HUMAN	5AP7A	P33981	519	794	857.0	SVE:61795	Type1	Inactive	DFGin	4.008	15.011	ABAminus	-75.4, -47.55	-134.63, 175.4	-113.35, 2.93	298.14, 169.12	68.03, 11.08	out-out	out	11.216	Saltbr-out	6.288	HRD-in	-53.42, -53.82	66.3, 10.85	out-out-out	SNCooo	out-out	ActLoopNT-out	11.476	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -94.63	APE9-dihe-na	-108.3, 120.24	APE8-dihe-in	-73.36, 151.59	APE8-rot-out	193.39	APE67-dihe-in	-46.84, -28.38	-104.91, -10.44	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	17.493	APE9-dist-out	10.116	C604W	None	None	XRAY	2.45	0.188	0.234	A	313	253	23	0	0	10	[[525, 791]]	1.0	5ap7	OTHER_TTK_HUMAN	CAMK	2.5e-53	187.1	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK
OTHER	TTK	TTK_HUMAN	2X9EA	P33981	515	795	857.0	SVE:1796	Type1	Inactive	DFGin	3.523	14.692	ABAminus	-97.78, -42.88	-144.87, 174.21	-107.75, 2.72	297.55, 168.15	71.6, 31.63	out-out	out	11.054	Saltbr-out	5.671	HRD-in	-68.71, -48.71	69.68, -10.51	out-out-out	SNCooo	out-out	ActLoopNT-out	11.517	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 32.06	APE8-dihe-in	-85.14, 170.49	APE8-rot-out	171.47	APE67-dihe-in	-39.15, -60.16	-95.37, -10.13	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	11.732	None	None	None	XRAY	3.1	0.215	0.306	A	317	254	27	0	0	15	[[525, 791]]	1.0	2x9e	OTHER_TTK_HUMAN	CAMK	8.7e-54	188.5	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK

Ligand: SVE

Total number of chains: 3

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	ABAminus	3	100.0%	5NTTA

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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	5NTTA	P33981	519	797	857.0	SVE:60801	Type1	Inactive	DFGin	4.05	15.12	ABAminus	-86.34, -42.9	-137.69, 167.25	-111.84, 11.03	299.57, 162.1	66.85, 16.85	out-out	out	10.98	Saltbr-out	5.922	HRD-in	-63.1, -49.38	74.04, 9.83	out-out-out	SNCooo	out-out	ActLoopNT-out	11.501	ActLoopCT-out	nonTYR	APEdihe_aaini	APEdist_oooo	APE10-dihe-na	-72.45, -49.0	APE9-dihe-na	-71.51, -26.39	APE8-dihe-in	-34.25, 137.42	APE8-rot-none	999.0	APE67-dihe-in	-68.38, -17.02	-109.78, 8.89	APE12-dist-out	22.273	APE11-dist-out	18.532	APE10-dist-out	15.69	APE9-dist-out	11.551	C604Y	TPO686	TPO686	XRAY	2.75	0.201	0.23	A	287	269	10	0	0	0	[[525, 791]]	1.0	5ntt	Homo sapiens	OTHER_TTK_HUMAN	CAMK	4.2e-54	189.5	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK
OTHER	TTK	TTK_HUMAN	5AP7A	P33981	519	794	857.0	SVE:61795	Type1	Inactive	DFGin	4.008	15.011	ABAminus	-75.4, -47.55	-134.63, 175.4	-113.35, 2.93	298.14, 169.12	68.03, 11.08	out-out	out	11.216	Saltbr-out	6.288	HRD-in	-53.42, -53.82	66.3, 10.85	out-out-out	SNCooo	out-out	ActLoopNT-out	11.476	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnoo	APE10-dihe-na	999.0, -94.63	APE9-dihe-na	-108.3, 120.24	APE8-dihe-in	-73.36, 151.59	APE8-rot-out	193.39	APE67-dihe-in	-46.84, -28.38	-104.91, -10.44	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-out	17.493	APE9-dist-out	10.116	C604W	None	None	XRAY	2.45	0.188	0.234	A	313	253	23	0	0	10	[[525, 791]]	1.0	5ap7	Homo sapiens	OTHER_TTK_HUMAN	CAMK	2.5e-53	187.1	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK
OTHER	TTK	TTK_HUMAN	2X9EA	P33981	515	795	857.0	SVE:1796	Type1	Inactive	DFGin	3.523	14.692	ABAminus	-97.78, -42.88	-144.87, 174.21	-107.75, 2.72	297.55, 168.15	71.6, 31.63	out-out	out	11.054	Saltbr-out	5.671	HRD-in	-68.71, -48.71	69.68, -10.51	out-out-out	SNCooo	out-out	ActLoopNT-out	11.517	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 32.06	APE8-dihe-in	-85.14, 170.49	APE8-rot-out	171.47	APE67-dihe-in	-39.15, -60.16	-95.37, -10.13	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	11.732	None	None	None	XRAY	3.1	0.215	0.306	A	317	254	27	0	0	15	[[525, 791]]	1.0	2x9e	Homo sapiens	OTHER_TTK_HUMAN	CAMK	8.7e-54	188.5	1	256	256	663	664	665	667	669	553	571	575	644	646	645	647	716	693	688	687	686	685	684	683	682	603	Dual specificity protein kinase TTK

Ligand: SVE

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