KinCore

PDB: 9CZU — STE M4K1_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	9CZUA

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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
STE	MAP4K1	M4K1_HUMAN	9CZUA	Q92918	5	293	833.0	A1A1D:402	Type1	Inactive	DFGin	6.489	14.351	BLAminus	-137.75, 175.2	60.15, 86.19	-93.64, 18.19	290.54, 89.04	-56.44, -52.47	in-in	in	9.037	Saltbr-in	2.728	HRD-in	-75.08, -47.99	65.32, -1.97	in-out-out	SNCioo	out-out	ActLoopNT-out	6.362	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-70.17, -48.47	APE9-dihe-na	84.19, -157.27	APE8-dihe-in	-72.64, 141.86	APE8-rot-out	43.34	APE67-dihe-in	-57.98, -25.96	-98.31, -2.0	APE12-dist-out	20.226	APE11-dist-out	21.215	APE10-dist-out	21.689	APE9-dist-out	27.932	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	A	309	289	0	0	0	0	[[17, 274]]	1.0	9czu	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUB	Q92918	5	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.627	14.256	BLAminus	-142.58, 175.68	62.6, 83.65	-94.25, 18.74	283.17, 98.7	-57.67, -46.92	in-in	in	8.941	Saltbr-in	2.711	HRD-in	-79.54, -50.09	64.64, 8.44	in-out-out	SNCioo	out-out	ActLoopNT-out	6.227	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nooo	APE10-dihe-na	-43.64, -23.49	APE9-dihe-na	-83.63, -155.02	APE8-dihe-in	-111.85, 117.82	APE8-rot-out	188.67	APE67-dihe-in	-63.02, -29.49	-59.84, -30.8	APE12-dist-none	999.0	APE11-dist-out	21.237	APE10-dist-out	22.531	APE9-dist-out	27.303	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	B	309	281	8	0	0	3	[[17, 274]]	1.0	9czu	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUC	Q92918	2	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.442	14.095	BLAminus	-139.71, -179.22	60.34, 85.98	-94.91, 23.99	287.04, 94.1	-63.75, -52.11	in-in	in	8.778	Saltbr-in	2.819	HRD-in	-74.72, -51.25	65.43, 3.35	in-out-out	SNCioo	out-out	ActLoopNT-out	6.098	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-70.95, -44.47	APE9-dihe-na	71.68, -170.18	APE8-dihe-in	-74.3, 141.89	APE8-rot-out	51.45	APE67-dihe-in	-58.88, -33.48	-102.84, 6.18	APE12-dist-out	19.796	APE11-dist-out	21.474	APE10-dist-out	22.33	APE9-dist-out	28.448	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	C	309	287	5	0	0	0	[[17, 274]]	1.0	9czu	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUD	Q92918	8	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.537	14.124	BLAminus	-133.54, 178.66	62.04, 84.09	-97.33, 23.34	283.9, 99.03	-63.9, -49.28	in-in	in	8.641	Saltbr-in	2.812	HRD-in	-74.93, -53.89	72.23, 2.08	in-out-out	SNCioo	out-out	ActLoopNT-out	6.125	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-62.67, -39.85	APE9-dihe-na	75.44, -164.27	APE8-dihe-in	-73.76, 140.22	APE8-rot-out	49.21	APE67-dihe-in	-59.67, -27.82	-103.43, 3.8	APE12-dist-out	19.334	APE11-dist-out	20.71	APE10-dist-out	22.031	APE9-dist-out	28.546	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	D	309	282	4	0	0	0	[[17, 274]]	1.0	9czu	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1

PDB: 9CZU — STE M4K1_HUMAN

Total number of chains: 4

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	9CZUA

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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
STE	MAP4K1	M4K1_HUMAN	9CZUA	Q92918	5	293	833.0	A1A1D:402	Type1	Inactive	DFGin	6.489	14.351	BLAminus	-137.75, 175.2	60.15, 86.19	-93.64, 18.19	290.54, 89.04	-56.44, -52.47	in-in	in	9.037	Saltbr-in	2.728	HRD-in	-75.08, -47.99	65.32, -1.97	in-out-out	SNCioo	out-out	ActLoopNT-out	6.362	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-70.17, -48.47	APE9-dihe-na	84.19, -157.27	APE8-dihe-in	-72.64, 141.86	APE8-rot-out	43.34	APE67-dihe-in	-57.98, -25.96	-98.31, -2.0	APE12-dist-out	20.226	APE11-dist-out	21.215	APE10-dist-out	21.689	APE9-dist-out	27.932	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	A	309	289	0	0	0	0	[[17, 274]]	1.0	9czu	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUB	Q92918	5	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.627	14.256	BLAminus	-142.58, 175.68	62.6, 83.65	-94.25, 18.74	283.17, 98.7	-57.67, -46.92	in-in	in	8.941	Saltbr-in	2.711	HRD-in	-79.54, -50.09	64.64, 8.44	in-out-out	SNCioo	out-out	ActLoopNT-out	6.227	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nooo	APE10-dihe-na	-43.64, -23.49	APE9-dihe-na	-83.63, -155.02	APE8-dihe-in	-111.85, 117.82	APE8-rot-out	188.67	APE67-dihe-in	-63.02, -29.49	-59.84, -30.8	APE12-dist-none	999.0	APE11-dist-out	21.237	APE10-dist-out	22.531	APE9-dist-out	27.303	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	B	309	281	8	0	0	3	[[17, 274]]	1.0	9czu	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUC	Q92918	2	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.442	14.095	BLAminus	-139.71, -179.22	60.34, 85.98	-94.91, 23.99	287.04, 94.1	-63.75, -52.11	in-in	in	8.778	Saltbr-in	2.819	HRD-in	-74.72, -51.25	65.43, 3.35	in-out-out	SNCioo	out-out	ActLoopNT-out	6.098	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-70.95, -44.47	APE9-dihe-na	71.68, -170.18	APE8-dihe-in	-74.3, 141.89	APE8-rot-out	51.45	APE67-dihe-in	-58.88, -33.48	-102.84, 6.18	APE12-dist-out	19.796	APE11-dist-out	21.474	APE10-dist-out	22.33	APE9-dist-out	28.448	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	C	309	287	5	0	0	0	[[17, 274]]	1.0	9czu	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	9CZUD	Q92918	8	293	833.0	A1A1D:401	Type1	Inactive	DFGin	6.537	14.124	BLAminus	-133.54, 178.66	62.04, 84.09	-97.33, 23.34	283.9, 99.03	-63.9, -49.28	in-in	in	8.641	Saltbr-in	2.812	HRD-in	-74.93, -53.89	72.23, 2.08	in-out-out	SNCioo	out-out	ActLoopNT-out	6.125	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-62.67, -39.85	APE9-dihe-na	75.44, -164.27	APE8-dihe-in	-73.76, 140.22	APE8-rot-out	49.21	APE67-dihe-in	-59.67, -27.82	-103.43, 3.8	APE12-dist-out	19.334	APE11-dist-out	20.71	APE10-dist-out	22.031	APE9-dist-out	28.546	T165E,S171E	None	None	XRAY	1.85	0.198	0.248	D	309	282	4	0	0	0	[[17, 274]]	1.0	9czu	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1	256	256	154	155	156	158	160	46	62	66	134	136	135	137	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1

PDB: 9CZU — STE M4K1_HUMAN

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