KinCore

Ligand: 1FN

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	BBAminus	1	100.0%	3CE3A

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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	MET	MET_HUMAN	3CE3A	P08581	1054	1360	1390.0	1FN:1401	Type2	Inactive	DFGout	15.829	11.096	BBAminus	-152.23, -166.63	-149.31, 110.67	-63.52, 88.97	263.94, 98.6	-40.81, 999.0	out-out	out	10.457	Saltbr-out	7.572	HRD-in	-64.74, -51.71	83.06, -16.24	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	154.52, -34.98	APE9-dihe-in	-91.22, 168.57	APE8-dihe-in	-87.87, 55.4	APE8-rot-na	29.31	APE67-dihe-in	-83.51, -5.01	-45.55, -24.63	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.489	Y1194F,Y1234F,Y1235D,L1272L	None	None	XRAY	2.4	0.209	0.275	A	314	293	14	0	0	14	[[1078, 1339]]	1.0	3ce3	TYR_MET_HUMAN	TYR	8.4e-90	306.9	2	260	259	1221	1222	1223	1225	1227	1110	1127	1131	1201	1203	1202	1204	1265	1253	1248	1247	1246	1245	1244	1243	1242	1158	Hepatocyte growth factor receptor

Ligand: 1FN

Total number of chains: 3

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	2	66.7%	6OKOA
DFGout	BBAminus	1	33.3%	3CE3A

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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	MET	MET_HUMAN	3CE3A	P08581	1054	1360	1390.0	1FN:1401	Type2	Inactive	DFGout	15.829	11.096	BBAminus	-152.23, -166.63	-149.31, 110.67	-63.52, 88.97	263.94, 98.6	-40.81, 999.0	out-out	out	10.457	Saltbr-out	7.572	HRD-in	-64.74, -51.71	83.06, -16.24	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	154.52, -34.98	APE9-dihe-in	-91.22, 168.57	APE8-dihe-in	-87.87, 55.4	APE8-rot-na	29.31	APE67-dihe-in	-83.51, -5.01	-45.55, -24.63	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-in	7.489	Y1194F,Y1234F,Y1235D,L1272L	None	None	XRAY	2.4	0.209	0.275	A	314	293	14	0	0	14	[[1078, 1339]]	1.0	3ce3	Homo sapiens	TYR_MET_HUMAN	TYR	8.4e-90	306.9	2	260	259	1221	1222	1223	1225	1227	1110	1127	1131	1201	1203	1202	1204	1265	1253	1248	1247	1246	1245	1244	1243	1242	1158	Hepatocyte growth factor receptor
TKL	RIPK3	RIPK3_MOUSE	6OKOA	Q9QZL0	14	311	486.0	1FN:4000	Type2	Inactive	DFGout	14.657	9.479	None	-150.96, 174.92	-144.36, 105.73	-56.39, 999.0	272.32, 88.92	999.0, 999.0	in-in	in	8.288	Saltbr-in	2.699	HRD-in	-68.52, -53.05	75.17, -14.49	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, -55.0	APE8-dihe-out	-66.23, -6.09	APE8-rot-out	181.11	APE67-dihe-in	-65.76, -28.77	-67.24, -21.39	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	12.291	None	None	None	XRAY	2.1	0.181	0.198	A	325	263	35	0	0	23	[[20, 290]]	1.0	6oko	Mus musculus	TKL_RIPK3_MOUSE	TKL	5e-60	209.3	3	265	263	160	161	162	164	166	51	61	65	140	142	141	143	208	194	189	188	187	186	185	184	183	96	Receptor-interacting serine/threonine-protein kinase 3
TKL	RIPK3	RIPK3_MOUSE	6OKOB	Q9QZL0	13	311	486.0	1FN:4000	Type2	Inactive	DFGout	14.797	9.688	None	-145.94, 173.66	-143.61, 99.01	-60.19, 999.0	273.68, 88.75	999.0, 999.0	in-out	in	8.073	Saltbr-out	4.053	HRD-in	-68.69, -51.85	75.17, -15.43	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	nonTYR	APEdihe_aannn	APEdist_nnnn	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 999.0	APE8-rot-none	999.0	APE67-dihe-none	-65.61, -27.95	999.0, -18.66	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-none	999.0	None	None	None	XRAY	2.1	0.181	0.198	B	325	261	38	0	0	25	[[20, 290]]	1.0	6oko	Mus musculus	TKL_RIPK3_MOUSE	TKL	5e-60	209.3	3	265	263	160	161	162	164	166	51	61	65	140	142	141	143	208	194	189	188	187	186	185	184	183	96	Receptor-interacting serine/threonine-protein kinase 3

Ligand: 1FN

Total number of chains: 2

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGout	None	2	100.0%	6OKOA

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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	RIPK3	RIPK3_MOUSE	6OKOA	Q9QZL0	14	311	486.0	1FN:4000	Type2	Inactive	DFGout	14.657	9.479	None	-150.96, 174.92	-144.36, 105.73	-56.39, 999.0	272.32, 88.92	999.0, 999.0	in-in	in	8.288	Saltbr-in	2.699	HRD-in	-68.52, -53.05	75.17, -14.49	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaooi	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, -55.0	APE8-dihe-out	-66.23, -6.09	APE8-rot-out	181.11	APE67-dihe-in	-65.76, -28.77	-67.24, -21.39	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	12.291	None	None	None	XRAY	2.1	0.181	0.198	A	325	263	35	0	0	23	[[20, 290]]	1.0	6oko	Mus musculus	TKL_RIPK3_MOUSE	TKL	5e-60	209.3	3	265	263	160	161	162	164	166	51	61	65	140	142	141	143	208	194	189	188	187	186	185	184	183	96	Receptor-interacting serine/threonine-protein kinase 3
TKL	RIPK3	RIPK3_MOUSE	6OKOB	Q9QZL0	13	311	486.0	1FN:4000	Type2	Inactive	DFGout	14.797	9.688	None	-145.94, 173.66	-143.61, 99.01	-60.19, 999.0	273.68, 88.75	999.0, 999.0	in-out	in	8.073	Saltbr-out	4.053	HRD-in	-68.69, -51.85	75.17, -15.43	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	nonTYR	APEdihe_aannn	APEdist_nnnn	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 999.0	APE8-dihe-none	999.0, 999.0	APE8-rot-none	999.0	APE67-dihe-none	-65.61, -27.95	999.0, -18.66	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-none	999.0	None	None	None	XRAY	2.1	0.181	0.198	B	325	261	38	0	0	25	[[20, 290]]	1.0	6oko	Mus musculus	TKL_RIPK3_MOUSE	TKL	5e-60	209.3	3	265	263	160	161	162	164	166	51	61	65	140	142	141	143	208	194	189	188	187	186	185	184	183	96	Receptor-interacting serine/threonine-protein kinase 3