KinCore

Ligand: A1IDE

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9FLRA

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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	HASPIN	HASP_HUMAN	9FLRA	Q8TF76	471	798	798.0	A1IDE:803	Type1	Active	DFGin	5.2574	11.9054	BLAminus	-132.45, 173.37	67.71, 90.56	-101.27, 25.05	315.0, 128.67	-53.75, -42.86	in-in	in	9.4062	Saltbr-in	2.535	HRD-naN	-70.9, -52.21	71.26, 4.74	in-in-na	SNCiia	in-na	ActLoopNT-in	2.852	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-118.29, 14.34	APE9-dihe-na	-78.07, 164.28	APE8-dihe-na	-157.67, 170.99	APE8-rot-na	58.59	APE67-dihe-na	-164.88, 135.66	97.12, 4.81	APE12-dist-na	9.5973	APE11-dist-na	13.5664	APE10-dist-na	17.0446	APE9-dist-na	13.1089	None	None	None	XRAY	1.91	0.173	0.209	A	357.0	328.0	0	35	35	0	[[484, 797]]	1.0	9flr	OTHER_HASPIN_HUMAN	HASP	1.4e-226	756.6	1.0	314.0	314.0	686	687	688	690	692	511	535	539	646	648	647	649.0	741	721	716	715	714	713	712	711	710	604	Serine/threonine-protein kinase haspin

Ligand: A1IDE

Total number of chains: 1

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	9FLRA

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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	HASPIN	HASP_HUMAN	9FLRA	Q8TF76	471	798	798.0	A1IDE:803	Type1	Active	DFGin	5.2574	11.9054	BLAminus	-132.45, 173.37	67.71, 90.56	-101.27, 25.05	315.0, 128.67	-53.75, -42.86	in-in	in	9.4062	Saltbr-in	2.535	HRD-naN	-70.9, -52.21	71.26, 4.74	in-in-na	SNCiia	in-na	ActLoopNT-in	2.852	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-118.29, 14.34	APE9-dihe-na	-78.07, 164.28	APE8-dihe-na	-157.67, 170.99	APE8-rot-na	58.59	APE67-dihe-na	-164.88, 135.66	97.12, 4.81	APE12-dist-na	9.5973	APE11-dist-na	13.5664	APE10-dist-na	17.0446	APE9-dist-na	13.1089	None	None	None	XRAY	1.91	0.173	0.209	A	357.0	328.0	0	35	35	0	[[484, 797]]	1.0	9flr	Homo sapiens	OTHER_HASPIN_HUMAN	HASP	1.4e-226	756.6	1.0	314.0	314.0	686	687	688	690	692	511	535	539	646	648	647	649.0	741	721	716	715	714	713	712	711	710	604	Serine/threonine-protein kinase haspin

Ligand: A1IDE

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