KinCore

PDB: 3MSS — TYR ABL1_MOUSE

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

PDB: 3MSS — TYR ABL1_MOUSE

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	4	100.0%	3MSSA

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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	3MSSA	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.602	10.927	BBAminus	-140.22, -178.36	-147.69, 104.27	-89.71, -2.47	299.0, 139.73	66.29, 43.35	in-in	in	8.389	Saltbr-in	3.095	HRD-in	-74.19, -56.0	83.94, -13.58	in-out-in	SNCioi	out-in	ActLoopNT-out	16.219	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-116.21, 134.82	APE9-dihe-in	-123.76, 144.56	APE8-dihe-in	-89.25, 91.24	APE8-rot-na	26.73	APE67-dihe-in	-76.81, -6.98	-52.23, -37.7	APE12-dist-na	14.446	APE11-dist-na	11.974	APE10-dist-na	8.581	APE9-dist-in	7.441	None	None	None	XRAY	1.95	0.172	0.22	A	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSB	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.6	10.82	BBAminus	-134.26, 179.26	-142.74, 100.94	-88.95, 3.79	301.55, 135.44	59.27, 50.16	in-in	in	8.188	Saltbr-in	2.729	HRD-in	-84.32, -52.44	85.34, -18.42	in-out-in	SNCioi	out-in	ActLoopNT-out	15.326	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-118.6, 137.91	APE9-dihe-in	-132.77, 140.13	APE8-dihe-in	-80.01, 89.25	APE8-rot-na	23.44	APE67-dihe-in	-77.65, -10.14	-50.83, -40.78	APE12-dist-na	15.576	APE11-dist-na	13.486	APE10-dist-na	8.8	APE9-dist-in	7.455	None	None	None	XRAY	1.95	0.172	0.22	B	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSC	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.591	10.963	BBAminus	-138.8, 179.7	-144.18, 103.21	-86.54, 1.5	302.89, 134.71	58.1, 46.5	in-in	in	8.088	Saltbr-in	3.047	HRD-in	-78.89, -57.09	86.43, -17.08	in-out-in	SNCioi	out-in	ActLoopNT-out	16.108	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-116.32, 131.91	APE9-dihe-in	-126.48, 145.59	APE8-dihe-in	-89.99, 90.94	APE8-rot-na	26.3	APE67-dihe-in	-77.37, -6.31	-51.14, -38.56	APE12-dist-na	14.594	APE11-dist-na	11.85	APE10-dist-na	8.463	APE9-dist-in	7.442	None	None	None	XRAY	1.95	0.172	0.22	C	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSD	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.547	10.788	BBAminus	-134.13, -175.99	-148.24, 101.28	-89.17, 5.19	302.32, 137.83	56.24, 49.56	in-in	in	8.192	Saltbr-in	2.789	HRD-in	-83.98, -55.12	89.03, -15.39	in-out-in	SNCioi	out-in	ActLoopNT-out	15.539	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-124.05, 133.37	APE9-dihe-in	-131.92, 141.87	APE8-dihe-in	-80.66, 89.72	APE8-rot-na	31.84	APE67-dihe-in	-74.69, -8.69	-52.73, -42.14	APE12-dist-na	15.622	APE11-dist-na	13.606	APE10-dist-na	8.783	APE9-dist-in	7.554	None	None	None	XRAY	1.95	0.172	0.22	D	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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

PDB: 3MSS — TYR ABL1_MOUSE

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	4	100.0%	3MSSA

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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	3MSSA	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.602	10.927	BBAminus	-140.22, -178.36	-147.69, 104.27	-89.71, -2.47	299.0, 139.73	66.29, 43.35	in-in	in	8.389	Saltbr-in	3.095	HRD-in	-74.19, -56.0	83.94, -13.58	in-out-in	SNCioi	out-in	ActLoopNT-out	16.219	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-116.21, 134.82	APE9-dihe-in	-123.76, 144.56	APE8-dihe-in	-89.25, 91.24	APE8-rot-na	26.73	APE67-dihe-in	-76.81, -6.98	-52.23, -37.7	APE12-dist-na	14.446	APE11-dist-na	11.974	APE10-dist-na	8.581	APE9-dist-in	7.441	None	None	None	XRAY	1.95	0.172	0.22	A	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSB	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.6	10.82	BBAminus	-134.26, 179.26	-142.74, 100.94	-88.95, 3.79	301.55, 135.44	59.27, 50.16	in-in	in	8.188	Saltbr-in	2.729	HRD-in	-84.32, -52.44	85.34, -18.42	in-out-in	SNCioi	out-in	ActLoopNT-out	15.326	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-118.6, 137.91	APE9-dihe-in	-132.77, 140.13	APE8-dihe-in	-80.01, 89.25	APE8-rot-na	23.44	APE67-dihe-in	-77.65, -10.14	-50.83, -40.78	APE12-dist-na	15.576	APE11-dist-na	13.486	APE10-dist-na	8.8	APE9-dist-in	7.455	None	None	None	XRAY	1.95	0.172	0.22	B	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSC	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.591	10.963	BBAminus	-138.8, 179.7	-144.18, 103.21	-86.54, 1.5	302.89, 134.71	58.1, 46.5	in-in	in	8.088	Saltbr-in	3.047	HRD-in	-78.89, -57.09	86.43, -17.08	in-out-in	SNCioi	out-in	ActLoopNT-out	16.108	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-116.32, 131.91	APE9-dihe-in	-126.48, 145.59	APE8-dihe-in	-89.99, 90.94	APE8-rot-na	26.3	APE67-dihe-in	-77.37, -6.31	-51.14, -38.56	APE12-dist-na	14.594	APE11-dist-na	11.85	APE10-dist-na	8.463	APE9-dist-in	7.442	None	None	None	XRAY	1.95	0.172	0.22	C	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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	3MSSD	P00520	232	498	1123.0	STI:60001,MS7:60516	Type2,Allosteric	Inactive	DFGout	13.547	10.788	BBAminus	-134.13, -175.99	-148.24, 101.28	-89.17, 5.19	302.32, 137.83	56.24, 49.56	in-in	in	8.192	Saltbr-in	2.789	HRD-in	-83.98, -55.12	89.03, -15.39	in-out-in	SNCioi	out-in	ActLoopNT-out	15.539	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-124.05, 133.37	APE9-dihe-in	-131.92, 141.87	APE8-dihe-in	-80.66, 89.72	APE8-rot-na	31.84	APE67-dihe-in	-74.69, -8.69	-52.73, -42.14	APE12-dist-na	15.622	APE11-dist-na	13.606	APE10-dist-na	8.783	APE9-dist-in	7.554	None	None	None	XRAY	1.95	0.172	0.22	D	293	260	7	0	0	1	[[242, 495]]	1.0	3mss	Mus musculus	TYR_ABL1_MOUSE	TYR	2.9e-100	340.8	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