KinCore

Ligand: SX7

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: SX7

Total number of chains: 6

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	5	83.3%	3DK7A
None	None	1	16.7%	3DK7B

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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
TYR	ABL1	ABL1_MOUSE	3DK7A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.521	4.47	None	-65.94, 133.62	-136.37, 26.36	-59.29, -46.94	277.65, 138.09	-96.98, 21.57	in-in	in	7.766	Saltbr-in	2.793	HRD-in	-90.33, -58.06	79.79, -1.99	in-out-in	SNCioi	out-in	ActLoopNT-out	5.675	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-107.5, 130.75	APE9-dihe-in	-114.11, 153.09	APE8-dihe-in	-69.74, 90.62	APE8-rot-na	25.02	APE67-dihe-in	-72.01, -11.59	-51.31, -42.54	APE12-dist-na	20.579	APE11-dist-na	15.929	APE10-dist-na	18.225	APE9-dist-in	7.447	T315I,L445P	PTR393	PTR393	XRAY	2.01	0.216	0.242	A	277	266	4	0	0	0	[[242, 495]]	1.0	3dk7	Mus musculus	TYR_ABL1_MOUSE	TYR	2.6e-100	341.0	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK6A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.835	8.306	None	-61.57, 128.5	-127.52, 27.29	-83.26, -21.75	331.68, 119.16	-112.49, 27.73	in-in	in	7.974	Saltbr-in	2.893	HRD-in	-91.42, -55.08	73.35, 1.27	in-out-in	SNCioi	out-in	ActLoopNT-out	5.66	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-110.77, 134.59	APE9-dihe-in	-117.57, 154.09	APE8-dihe-in	-69.69, 91.12	APE8-rot-na	24.6	APE67-dihe-in	-73.26, -8.23	-48.64, -44.69	APE12-dist-na	20.525	APE11-dist-na	15.941	APE10-dist-na	18.171	APE9-dist-in	7.39	Y253F,L445P	PTR393	PTR393	XRAY	2.02	0.216	0.246	A	293	263	7	0	0	0	[[242, 495]]	1.0	3dk6	Mus musculus	TYR_ABL1_MOUSE	TYR	3.2e-101	343.9	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK6B	P00520	234	505	1123.0	SX7:2	Type1	Inactive	DFGinter	9.607	8.211	None	-63.13, 129.74	-127.1, 39.65	-91.94, -7.89	322.45, 123.44	-137.52, 35.5	in-none	in	8.477	Saltbr-none	999.0	HRD-in	-90.89, -55.29	76.04, -7.16	none-out-in	SNCnoi	out-in	ActLoopNT-out	5.58	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-104.73, 139.41	APE9-dihe-in	-127.03, 148.23	APE8-dihe-in	-65.18, 97.87	APE8-rot-na	342.63	APE67-dihe-in	-74.45, -10.42	-49.61, -43.27	APE12-dist-na	18.841	APE11-dist-na	14.184	APE10-dist-na	17.301	APE9-dist-in	6.943	Y253F,L445P	PTR393	PTR393	XRAY	2.02	0.216	0.246	B	293	260	12	0	0	0	[[242, 495]]	1.0	3dk6	Mus musculus	TYR_ABL1_MOUSE	TYR	3.2e-101	343.9	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK3A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.037	4.534	None	-66.29, 133.89	-136.12, 20.26	-58.29, -43.12	280.16, 137.15	-98.94, 20.71	in-in	in	7.628	Saltbr-in	2.858	HRD-in	-87.93, -54.51	76.79, -4.02	in-out-in	SNCioi	out-in	ActLoopNT-out	5.681	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-104.14, 131.04	APE9-dihe-in	-114.33, 156.79	APE8-dihe-in	-71.32, 89.5	APE8-rot-na	25.37	APE67-dihe-in	-70.0, -11.6	-49.65, -44.27	APE12-dist-na	20.741	APE11-dist-na	16.009	APE10-dist-na	18.29	APE9-dist-in	7.277	Y393F,L445P	None	None	XRAY	2.02	0.213	0.248	A	293	266	4	0	0	0	[[242, 495]]	1.0	3dk3	Mus musculus	TYR_ABL1_MOUSE	TYR	1.3e-99	338.7	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK3B	P00520	233	505	1123.0	SX7:2	Type1	Inactive	DFGinter	8.654	4.762	None	-66.35, 137.23	-141.11, 32.97	-68.57, -40.89	274.02, 151.63	-104.05, 31.43	in-in	in	7.726	Saltbr-in	2.728	HRD-in	-97.18, -55.69	76.9, -3.17	in-out-in	SNCioi	out-in	ActLoopNT-out	5.554	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.31, 136.08	APE9-dihe-in	-118.61, 148.91	APE8-dihe-in	-68.85, 95.72	APE8-rot-na	24.23	APE67-dihe-in	-70.92, -12.54	-48.57, -45.29	APE12-dist-na	19.212	APE11-dist-na	14.55	APE10-dist-na	17.621	APE9-dist-in	7.002	Y393F,L445P	None	None	XRAY	2.02	0.213	0.248	B	293	269	4	0	0	0	[[242, 495]]	1.0	3dk3	Mus musculus	TYR_ABL1_MOUSE	TYR	1.3e-99	338.7	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK7B	P00520	233	505	1123.0	SX7:2	Type1	Inactive	None	999.0	999.0	None	-70.09, 131.91	-99.1, 30.92	-47.67, -78.64	999.0, 999.0	-116.53, 59.69	in-none	in	8.153	Saltbr-none	999.0	HRD-in	-96.35, -57.33	75.78, -1.22	none-out-in	SNCnoi	out-in	ActLoopNT-out	5.635	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.0, 138.44	APE9-dihe-in	-123.96, 150.21	APE8-dihe-in	-64.33, 99.33	APE8-rot-na	21.28	APE67-dihe-in	-72.95, -10.57	-50.9, -44.43	APE12-dist-na	19.136	APE11-dist-na	14.483	APE10-dist-na	17.474	APE9-dist-in	7.019	T315I,L445P	PTR393	PTR393	XRAY	2.01	0.216	0.242	B	277	269	4	0	0	0	[[242, 495]]	1.0	3dk7	Mus musculus	TYR_ABL1_MOUSE	TYR	2.6e-100	341.0	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1

Ligand: SX7

Total number of chains: 6

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGinter	None	5	83.3%	3DK7A
None	None	1	16.7%	3DK7B

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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
TYR	ABL1	ABL1_MOUSE	3DK7A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.521	4.47	None	-65.94, 133.62	-136.37, 26.36	-59.29, -46.94	277.65, 138.09	-96.98, 21.57	in-in	in	7.766	Saltbr-in	2.793	HRD-in	-90.33, -58.06	79.79, -1.99	in-out-in	SNCioi	out-in	ActLoopNT-out	5.675	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-107.5, 130.75	APE9-dihe-in	-114.11, 153.09	APE8-dihe-in	-69.74, 90.62	APE8-rot-na	25.02	APE67-dihe-in	-72.01, -11.59	-51.31, -42.54	APE12-dist-na	20.579	APE11-dist-na	15.929	APE10-dist-na	18.225	APE9-dist-in	7.447	T315I,L445P	PTR393	PTR393	XRAY	2.01	0.216	0.242	A	277	266	4	0	0	0	[[242, 495]]	1.0	3dk7	Mus musculus	TYR_ABL1_MOUSE	TYR	2.6e-100	341.0	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK6A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.835	8.306	None	-61.57, 128.5	-127.52, 27.29	-83.26, -21.75	331.68, 119.16	-112.49, 27.73	in-in	in	7.974	Saltbr-in	2.893	HRD-in	-91.42, -55.08	73.35, 1.27	in-out-in	SNCioi	out-in	ActLoopNT-out	5.66	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-110.77, 134.59	APE9-dihe-in	-117.57, 154.09	APE8-dihe-in	-69.69, 91.12	APE8-rot-na	24.6	APE67-dihe-in	-73.26, -8.23	-48.64, -44.69	APE12-dist-na	20.525	APE11-dist-na	15.941	APE10-dist-na	18.171	APE9-dist-in	7.39	Y253F,L445P	PTR393	PTR393	XRAY	2.02	0.216	0.246	A	293	263	7	0	0	0	[[242, 495]]	1.0	3dk6	Mus musculus	TYR_ABL1_MOUSE	TYR	3.2e-101	343.9	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK6B	P00520	234	505	1123.0	SX7:2	Type1	Inactive	DFGinter	9.607	8.211	None	-63.13, 129.74	-127.1, 39.65	-91.94, -7.89	322.45, 123.44	-137.52, 35.5	in-none	in	8.477	Saltbr-none	999.0	HRD-in	-90.89, -55.29	76.04, -7.16	none-out-in	SNCnoi	out-in	ActLoopNT-out	5.58	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-104.73, 139.41	APE9-dihe-in	-127.03, 148.23	APE8-dihe-in	-65.18, 97.87	APE8-rot-na	342.63	APE67-dihe-in	-74.45, -10.42	-49.61, -43.27	APE12-dist-na	18.841	APE11-dist-na	14.184	APE10-dist-na	17.301	APE9-dist-in	6.943	Y253F,L445P	PTR393	PTR393	XRAY	2.02	0.216	0.246	B	293	260	12	0	0	0	[[242, 495]]	1.0	3dk6	Mus musculus	TYR_ABL1_MOUSE	TYR	3.2e-101	343.9	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK3A	P00520	233	502	1123.0	SX7:1	Type1	Inactive	DFGinter	9.037	4.534	None	-66.29, 133.89	-136.12, 20.26	-58.29, -43.12	280.16, 137.15	-98.94, 20.71	in-in	in	7.628	Saltbr-in	2.858	HRD-in	-87.93, -54.51	76.79, -4.02	in-out-in	SNCioi	out-in	ActLoopNT-out	5.681	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-104.14, 131.04	APE9-dihe-in	-114.33, 156.79	APE8-dihe-in	-71.32, 89.5	APE8-rot-na	25.37	APE67-dihe-in	-70.0, -11.6	-49.65, -44.27	APE12-dist-na	20.741	APE11-dist-na	16.009	APE10-dist-na	18.29	APE9-dist-in	7.277	Y393F,L445P	None	None	XRAY	2.02	0.213	0.248	A	293	266	4	0	0	0	[[242, 495]]	1.0	3dk3	Mus musculus	TYR_ABL1_MOUSE	TYR	1.3e-99	338.7	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK3B	P00520	233	505	1123.0	SX7:2	Type1	Inactive	DFGinter	8.654	4.762	None	-66.35, 137.23	-141.11, 32.97	-68.57, -40.89	274.02, 151.63	-104.05, 31.43	in-in	in	7.726	Saltbr-in	2.728	HRD-in	-97.18, -55.69	76.9, -3.17	in-out-in	SNCioi	out-in	ActLoopNT-out	5.554	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.31, 136.08	APE9-dihe-in	-118.61, 148.91	APE8-dihe-in	-68.85, 95.72	APE8-rot-na	24.23	APE67-dihe-in	-70.92, -12.54	-48.57, -45.29	APE12-dist-na	19.212	APE11-dist-na	14.55	APE10-dist-na	17.621	APE9-dist-in	7.002	Y393F,L445P	None	None	XRAY	2.02	0.213	0.248	B	293	269	4	0	0	0	[[242, 495]]	1.0	3dk3	Mus musculus	TYR_ABL1_MOUSE	TYR	1.3e-99	338.7	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1
TYR	ABL1	ABL1_MOUSE	3DK7B	P00520	233	505	1123.0	SX7:2	Type1	Inactive	None	999.0	999.0	None	-70.09, 131.91	-99.1, 30.92	-47.67, -78.64	999.0, 999.0	-116.53, 59.69	in-none	in	8.153	Saltbr-none	999.0	HRD-in	-96.35, -57.33	75.78, -1.22	none-out-in	SNCnoi	out-in	ActLoopNT-out	5.635	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-102.0, 138.44	APE9-dihe-in	-123.96, 150.21	APE8-dihe-in	-64.33, 99.33	APE8-rot-na	21.28	APE67-dihe-in	-72.95, -10.57	-50.9, -44.43	APE12-dist-na	19.136	APE11-dist-na	14.483	APE10-dist-na	17.474	APE9-dist-in	7.019	T315I,L445P	PTR393	PTR393	XRAY	2.01	0.216	0.242	B	277	269	4	0	0	0	[[242, 495]]	1.0	3dk7	Mus musculus	TYR_ABL1_MOUSE	TYR	2.6e-100	341.0	1	260	260	380	381	382	384	386	271	286	290	360	362	361	363	421	409	404	403	402	401	400	399	398	316	Tyrosine-protein kinase ABL1