KinCore

Ligand: PP1

Total number of chains: 4

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	75.0%	2IVVA
DFGin	BLBplus	1	25.0%	1QCFA

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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
TYR	HCK	HCK_HUMAN	1QCFA	P08631	81	526	526.0	PP1:60532	Type1	Inactive	DFGin	4.981	13.218	BLBplus	-122.28, 162.63	66.05, 14.52	-58.73, 126.22	40.94, 93.39	78.61, -11.82	out-out	out	13.854	Saltbr-out	14.605	HRD-in	-71.4, -55.63	83.68, -15.14	out-out-out	SNCooo	out-out	ActLoopNT-out	7.337	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaao	APE10-dihe-out	-96.4, -24.56	APE9-dihe-in	-80.87, 135.02	APE8-dihe-in	-72.72, 52.96	APE8-rot-na	38.75	APE67-dihe-in	-60.55, -20.73	-46.63, -48.12	APE12-dist-na	17.71	APE11-dist-na	18.81	APE10-dist-na	13.606	APE9-dist-out	8.642	Q523E,Q524E,Q525I	PTR522	PTR522	XRAY	2.0	0.215	0.257	A	454	446	0	0	0	0	[[262, 513]]	1.0	1qcf	TYR_HCK_HUMAN	TYR	1.4e-95	325.6	1	260	260	398	399	400	402	404	290	305	309	378	380	379	381	439	427	422	421	420	419	418	417	416	334	Tyrosine-protein kinase HCK
TYR	RET	RET_HUMAN	2IVVA	P07949	703	1011	1114.0	PP1:63014	Type1	Inactive	DFGin	6.556	14.142	BLAminus	-143.26, -177.25	58.28, 69.53	-89.75, 14.97	288.43, 85.58	-63.26, -29.42	in-in	in	7.439	Saltbr-in	2.754	HRD-in	-77.34, -42.56	72.38, -27.19	in-in-out	SNCiio	in-out	ActLoopNT-in	2.93	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-104.4, 14.76	APE9-dihe-in	-88.35, 135.17	APE8-dihe-in	-51.39, 136.04	APE8-rot-na	332.86	APE67-dihe-in	-75.15, -7.72	-61.02, -31.23	APE12-dist-na	13.534	APE11-dist-na	9.251	APE10-dist-na	7.7	APE9-dist-in	5.307	None	PTR905	PTR905	XRAY	2.25	0.187	0.237	A	314	280	25	0	0	0	[[724, 1007]]	1.0	2ivv	TYR_RET_HUMAN	TYR	7.1e-101	342.8	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	5FM2A	P07949	710	1011	1114.0	PP1:2012	Type1	Inactive	DFGin	6.67	14.57	BLAminus	-137.31, -177.68	58.64, 81.32	-104.78, 16.87	293.88, 101.57	-64.38, -27.3	in-in	in	7.827	Saltbr-in	2.807	HRD-in	-87.02, -32.65	62.59, -65.75	in-in-out	SNCiio	in-out	ActLoopNT-in	3.014	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-110.05, -1.64	APE9-dihe-in	-97.33, 131.3	APE8-dihe-in	-59.5, 138.73	APE8-rot-na	18.11	APE67-dihe-in	-68.33, -17.95	-61.33, -40.61	APE12-dist-na	11.662	APE11-dist-na	10.656	APE10-dist-na	6.834	APE9-dist-in	6.176	None	PTR809,PTR905,SEP909,PTR928	PTR809,PTR905,SEP909,PTR928	XRAY	3.3	0.234	0.253	A	355	277	25	0	0	0	[[724, 1007]]	1.0	5fm2	TYR_RET_HUMAN	TYR	6.3e-101	343.0	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	5FM3A	P07949	707	1011	1114.0	PP1:2012	Type1	Inactive	DFGin	6.684	14.734	BLAminus	-140.18, -175.86	58.01, 73.86	-96.76, 15.57	293.16, 98.3	-66.18, -20.62	in-in	in	7.574	Saltbr-in	3.111	HRD-in	-83.6, -39.84	68.93, -52.48	in-in-out	SNCiio	in-out	ActLoopNT-in	2.621	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-104.52, -0.83	APE9-dihe-in	-95.11, 132.08	APE8-dihe-in	-57.55, 137.67	APE8-rot-na	15.41	APE67-dihe-in	-67.54, -6.44	-62.19, -42.2	APE12-dist-na	11.903	APE11-dist-na	10.803	APE10-dist-na	7.082	APE9-dist-in	5.851	None	PTR809,PTR905,SEP909,PTR928	PTR809,PTR905,SEP909,PTR928	XRAY	2.95	0.2	0.224	A	355	280	25	0	0	0	[[724, 1007]]	1.0	5fm3	TYR_RET_HUMAN	TYR	6.3e-101	343.0	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: PP1

Total number of chains: 4

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	3	75.0%	2IVVA
DFGin	BLBplus	1	25.0%	1QCFA

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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	HCK	HCK_HUMAN	1QCFA	P08631	81	526	526.0	PP1:60532	Type1	Inactive	DFGin	4.981	13.218	BLBplus	-122.28, 162.63	66.05, 14.52	-58.73, 126.22	40.94, 93.39	78.61, -11.82	out-out	out	13.854	Saltbr-out	14.605	HRD-in	-71.4, -55.63	83.68, -15.14	out-out-out	SNCooo	out-out	ActLoopNT-out	7.337	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaao	APE10-dihe-out	-96.4, -24.56	APE9-dihe-in	-80.87, 135.02	APE8-dihe-in	-72.72, 52.96	APE8-rot-na	38.75	APE67-dihe-in	-60.55, -20.73	-46.63, -48.12	APE12-dist-na	17.71	APE11-dist-na	18.81	APE10-dist-na	13.606	APE9-dist-out	8.642	Q523E,Q524E,Q525I	PTR522	PTR522	XRAY	2.0	0.215	0.257	A	454	446	0	0	0	0	[[262, 513]]	1.0	1qcf	Homo sapiens	TYR_HCK_HUMAN	TYR	1.4e-95	325.6	1	260	260	398	399	400	402	404	290	305	309	378	380	379	381	439	427	422	421	420	419	418	417	416	334	Tyrosine-protein kinase HCK
TYR	RET	RET_HUMAN	2IVVA	P07949	703	1011	1114.0	PP1:63014	Type1	Inactive	DFGin	6.556	14.142	BLAminus	-143.26, -177.25	58.28, 69.53	-89.75, 14.97	288.43, 85.58	-63.26, -29.42	in-in	in	7.439	Saltbr-in	2.754	HRD-in	-77.34, -42.56	72.38, -27.19	in-in-out	SNCiio	in-out	ActLoopNT-in	2.93	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-104.4, 14.76	APE9-dihe-in	-88.35, 135.17	APE8-dihe-in	-51.39, 136.04	APE8-rot-na	332.86	APE67-dihe-in	-75.15, -7.72	-61.02, -31.23	APE12-dist-na	13.534	APE11-dist-na	9.251	APE10-dist-na	7.7	APE9-dist-in	5.307	None	PTR905	PTR905	XRAY	2.25	0.187	0.237	A	314	280	25	0	0	0	[[724, 1007]]	1.0	2ivv	Homo sapiens	TYR_RET_HUMAN	TYR	7.1e-101	342.8	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	5FM2A	P07949	710	1011	1114.0	PP1:2012	Type1	Inactive	DFGin	6.67	14.57	BLAminus	-137.31, -177.68	58.64, 81.32	-104.78, 16.87	293.88, 101.57	-64.38, -27.3	in-in	in	7.827	Saltbr-in	2.807	HRD-in	-87.02, -32.65	62.59, -65.75	in-in-out	SNCiio	in-out	ActLoopNT-in	3.014	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-110.05, -1.64	APE9-dihe-in	-97.33, 131.3	APE8-dihe-in	-59.5, 138.73	APE8-rot-na	18.11	APE67-dihe-in	-68.33, -17.95	-61.33, -40.61	APE12-dist-na	11.662	APE11-dist-na	10.656	APE10-dist-na	6.834	APE9-dist-in	6.176	None	PTR809,PTR905,SEP909,PTR928	PTR809,PTR905,SEP909,PTR928	XRAY	3.3	0.234	0.253	A	355	277	25	0	0	0	[[724, 1007]]	1.0	5fm2	Homo sapiens	TYR_RET_HUMAN	TYR	6.3e-101	343.0	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	5FM3A	P07949	707	1011	1114.0	PP1:2012	Type1	Inactive	DFGin	6.684	14.734	BLAminus	-140.18, -175.86	58.01, 73.86	-96.76, 15.57	293.16, 98.3	-66.18, -20.62	in-in	in	7.574	Saltbr-in	3.111	HRD-in	-83.6, -39.84	68.93, -52.48	in-in-out	SNCiio	in-out	ActLoopNT-in	2.621	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-104.52, -0.83	APE9-dihe-in	-95.11, 132.08	APE8-dihe-in	-57.55, 137.67	APE8-rot-na	15.41	APE67-dihe-in	-67.54, -6.44	-62.19, -42.2	APE12-dist-na	11.903	APE11-dist-na	10.803	APE10-dist-na	7.082	APE9-dist-in	5.851	None	PTR809,PTR905,SEP909,PTR928	PTR809,PTR905,SEP909,PTR928	XRAY	2.95	0.2	0.224	A	355	280	25	0	0	0	[[724, 1007]]	1.0	5fm3	Homo sapiens	TYR_RET_HUMAN	TYR	6.3e-101	343.0	1	261	261	891	892	893	895	897	758	775	779	871	873	872	874	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: PP1

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