KinCore

Ligand: A1D84

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	8ZULA

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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	PKMYT1	PMYT1_HUMAN	8ZULA	Q99640	75	361	499.0	A1D84:401	Type1	Inactive	DFGin	6.4116	14.1792	BLAminus	-138.34, -163.13	57.44, 78.97	-95.66, 20.39	298.61, 119.83	-65.91, -22.49	in-in	in	9.1187	Saltbr-in	2.8779	HRD-out	-86.65, 118.04	-96.94, 17.18	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8036	ActLoopCT-out	nonTYR	APEdihe_aaiai	APEdist_oooi	APE10-dihe-na	-86.92, 115.88	APE9-dihe-na	-65.84, 161.03	APE8-dihe-in	-64.68, 125.13	APE8-rot-na	189.07	APE67-dihe-in	-58.22, -33.63	-66.01, -22.62	APE12-dist-out	5.2242	APE11-dist-out	6.3172	APE10-dist-out	9.7039	APE9-dist-in	3.7969	None	None	None	XRAY	1.8	0.188	0.219	A	287.0	278.0	4	27	24	3	[[110, 359]]	1.0	8zul	OTHER_PKMYT1_HUMAN	STE	7.5e-39	139.8	1.0	255.0	255.0	250	251	252	254	256	139	157	161	230	232	231	233.0	288	277	272	271	270	269	268	267	266	188	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase

Ligand: A1D84

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	1	100.0%	8ZULA

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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	PKMYT1	PMYT1_HUMAN	8ZULA	Q99640	75	361	499.0	A1D84:401	Type1	Inactive	DFGin	6.4116	14.1792	BLAminus	-138.34, -163.13	57.44, 78.97	-95.66, 20.39	298.61, 119.83	-65.91, -22.49	in-in	in	9.1187	Saltbr-in	2.8779	HRD-out	-86.65, 118.04	-96.94, 17.18	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8036	ActLoopCT-out	nonTYR	APEdihe_aaiai	APEdist_oooi	APE10-dihe-na	-86.92, 115.88	APE9-dihe-na	-65.84, 161.03	APE8-dihe-in	-64.68, 125.13	APE8-rot-na	189.07	APE67-dihe-in	-58.22, -33.63	-66.01, -22.62	APE12-dist-out	5.2242	APE11-dist-out	6.3172	APE10-dist-out	9.7039	APE9-dist-in	3.7969	None	None	None	XRAY	1.8	0.188	0.219	A	287.0	278.0	4	27	24	3	[[110, 359]]	1.0	8zul	Homo sapiens	OTHER_PKMYT1_HUMAN	STE	7.5e-39	139.8	1.0	255.0	255.0	250	251	252	254	256	139	157	161	230	232	231	233.0	288	277	272	271	270	269	268	267	266	188	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase

Ligand: A1D84

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