KinCore

PDB: 8AAU — TKL LIMK1_HUMAN

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%	8AAUL

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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	LIMK1	LIMK1_HUMAN	8AAUL	P53667	330	634	647.0	LH0:60702	Type1	Active	DFGin	6.786	14.3596	BLAminus	-139.69, 179.69	63.59, 84.26	-97.44, 26.6	302.89, 100.12	-69.05, -22.82	in-in	in	8.0099	Saltbr-in	2.978	HRD-in	-77.51, -55.38	71.25, -0.11	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9518	ActLoopCT-in	nonTYR	APEdihe_aaiai	APEdist_iiii	APE10-dihe-na	-142.5, 160.37	APE9-dihe-na	102.43, 175.55	APE8-dihe-in	-76.32, 127.47	APE8-rot-na	188.29	APE67-dihe-in	-71.03, -16.49	-57.76, -26.74	APE12-dist-in	9.2056	APE11-dist-in	11.6205	APE10-dist-in	5.8444	APE9-dist-in	3.7263	None	None	None	XRAY	1.74	0.213	0.24	L	310.0	289.0	16	42	26	16	[[339, 606]]	1.0	8aau	TKL_LIMK1_HUMAN	TKL	4.5e-77	265.1	3.0	266.0	264.0	477	478	479	481	483	368	384	388	457	459	458	460.0	531	519	514	513	512	511	510	509	508	414	LIM domain kinase 1

PDB: 8AAU — TKL LIMK1_HUMAN

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%	8AAUL

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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	LIMK1	LIMK1_HUMAN	8AAUL	P53667	330	634	647.0	LH0:60702	Type1	Active	DFGin	6.786	14.3596	BLAminus	-139.69, 179.69	63.59, 84.26	-97.44, 26.6	302.89, 100.12	-69.05, -22.82	in-in	in	8.0099	Saltbr-in	2.978	HRD-in	-77.51, -55.38	71.25, -0.11	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9518	ActLoopCT-in	nonTYR	APEdihe_aaiai	APEdist_iiii	APE10-dihe-na	-142.5, 160.37	APE9-dihe-na	102.43, 175.55	APE8-dihe-in	-76.32, 127.47	APE8-rot-na	188.29	APE67-dihe-in	-71.03, -16.49	-57.76, -26.74	APE12-dist-in	9.2056	APE11-dist-in	11.6205	APE10-dist-in	5.8444	APE9-dist-in	3.7263	None	None	None	XRAY	1.74	0.213	0.24	L	310.0	289.0	16	42	26	16	[[339, 606]]	1.0	8aau	Homo sapiens	TKL_LIMK1_HUMAN	TKL	4.5e-77	265.1	3.0	266.0	264.0	477	478	479	481	483	368	384	388	457	459	458	460.0	531	519	514	513	512	511	510	509	508	414	LIM domain kinase 1

PDB: 8AAU — TKL LIMK1_HUMAN

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