KinCore

Ligand: XNM

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	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

Ligand: XNM

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%	3RZFA

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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	IKBKBL	Q6INT1_XENLA	3RZFA	Q6INT1	1	621	742.0	XNM:60676	Type1	Inactive	DFGin	5.9091	11.0898	BLAminus	-135.82, -178.26	64.19, 79.38	-102.11, 22.23	300.0, 0.01	-58.77, -19.77	in-in	in	8.5803	Saltbr-in	2.8499	HRD-out	-70.21, 94.37	-40.96, -33.85	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0311	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iioo	APE10-dihe-na	-42.23, 135.24	APE9-dihe-na	96.02, -113.45	APE8-dihe-in	-122.8, 108.17	APE8-rot-out	58.8	APE67-dihe-out	51.05, -64.09	-63.51, -69.27	APE12-dist-in	8.0644	APE11-dist-in	10.1434	APE10-dist-out	9.2605	APE9-dist-out	13.6276	S161E,S165E	None	None	XRAY	4.0	0.273	0.34	A	677.0	540.0	81	27	27	0	[[1, 566]]	1.0	3rzf	Xenopus laevis	OTHER_IKBKBL_XENLA	OTHER	1.3e-48	172.1	1.0	249.0	249.0	149	150	151	153	155	28	45	49	126	128	127	129.0	188	176	171	170	169	168	167	166	165	81	IkappaB kinase

Ligand: XNM

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%	3RZFA

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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	IKBKBL	Q6INT1_XENLA	3RZFA	Q6INT1	1	621	742.0	XNM:60676	Type1	Inactive	DFGin	5.9091	11.0898	BLAminus	-135.82, -178.26	64.19, 79.38	-102.11, 22.23	300.0, 0.01	-58.77, -19.77	in-in	in	8.5803	Saltbr-in	2.8499	HRD-out	-70.21, 94.37	-40.96, -33.85	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0311	ActLoopCT-out	nonTYR	APEdihe_aaioo	APEdist_iioo	APE10-dihe-na	-42.23, 135.24	APE9-dihe-na	96.02, -113.45	APE8-dihe-in	-122.8, 108.17	APE8-rot-out	58.8	APE67-dihe-out	51.05, -64.09	-63.51, -69.27	APE12-dist-in	8.0644	APE11-dist-in	10.1434	APE10-dist-out	9.2605	APE9-dist-out	13.6276	S161E,S165E	None	None	XRAY	4.0	0.273	0.34	A	677.0	540.0	81	27	27	0	[[1, 566]]	1.0	3rzf	Xenopus laevis	OTHER_IKBKBL_XENLA	OTHER	1.3e-48	172.1	1.0	249.0	249.0	149	150	151	153	155	28	45	49	126	128	127	129.0	188	176	171	170	169	168	167	166	165	81	IkappaB kinase