KinCore

PDB: 5KKR — 2 kinases

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	5KKRB

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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
TKL	KSR2	KSR2_HUMAN	5KKRB	Q6VAB6	650	932	950.0	6U7:1001	Type1.5_Back	Pseudo	DFGin	6.321	13.655	BLBplus	-128.93, 179.91	52.58, 42.95	-101.79, 139.35	57.86, 93.35	75.81, -29.93	out-none	out	15.513	Saltbr-none	999.0	HRD-in	-70.05, -32.28	58.42, -72.83	none-out-out	SNCnoo	out-out	ActLoopNT-out	9.734	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-86.49, -61.06	APE9-dihe-na	-69.5, -38.89	APE8-dihe-out	-67.94, -23.77	APE8-rot-na	175.88	APE67-dihe-in	-97.86, 0.75	-65.39, -34.36	APE12-dist-out	17.673	APE11-dist-out	15.152	APE10-dist-out	19.8	APE9-dist-out	10.565	None	None	None	XRAY	3.509	0.252	0.287	B	319	272	11	0	0	5	[[665, 930]]	1.0	5kkr	TKL_KSR2_HUMAN	TKL	1.1e-70	244.1	2	267	266	802	803	804	806	808	692	710	714	783	785	784	786	856	835	830	829	828	827	826	825	824	740	Kinase suppressor of Ras 2

PDB: 5KKR — 2 kinases

Total number of chains: 2

Active chains: 0

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	2	100.0%	5KKRB

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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	KSR2	KSR2_HUMAN	5KKRB	Q6VAB6	650	932	950.0	6U7:1001	Type1.5_Back	Pseudo	DFGin	6.321	13.655	BLBplus	-128.93, 179.91	52.58, 42.95	-101.79, 139.35	57.86, 93.35	75.81, -29.93	out-none	out	15.513	Saltbr-none	999.0	HRD-in	-70.05, -32.28	58.42, -72.83	none-out-out	SNCnoo	out-out	ActLoopNT-out	9.734	ActLoopCT-out	nonTYR	APEdihe_aaoai	APEdist_oooo	APE10-dihe-na	-86.49, -61.06	APE9-dihe-na	-69.5, -38.89	APE8-dihe-out	-67.94, -23.77	APE8-rot-na	175.88	APE67-dihe-in	-97.86, 0.75	-65.39, -34.36	APE12-dist-out	17.673	APE11-dist-out	15.152	APE10-dist-out	19.8	APE9-dist-out	10.565	None	None	None	XRAY	3.509	0.252	0.287	B	319	272	11	0	0	5	[[665, 930]]	1.0	5kkr	Homo sapiens	TKL_KSR2_HUMAN	TKL	1.1e-70	244.1	2	267	266	802	803	804	806	808	692	710	714	783	785	784	786	856	835	830	829	828	827	826	825	824	740	Kinase suppressor of Ras 2
STE	MAP2K1	MP2K1_RABIT	5KKRC	P29678	41	381	393.0	No_ligand	No_ligand	Inactive	DFGin	5.686	14.721	BLBplus	-158.86, 161.03	54.66, 76.63	-127.36, 155.38	51.94, 88.12	-65.72, 114.93	out-out	out	16.767	Saltbr-out	17.598	HRD-in	-80.0, -34.43	65.62, -12.22	out-out-out	SNCooo	out-out	ActLoopNT-out	9.889	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-95.67, -78.94	APE9-dihe-na	120.42, 151.43	APE8-dihe-out	-85.94, -11.72	APE8-rot-out	171.08	APE67-dihe-out	-107.86, 142.56	-124.16, 111.31	APE12-dist-out	16.067	APE11-dist-out	19.744	APE10-dist-out	21.348	APE9-dist-out	14.233	None	None	None	XRAY	3.509	0.252	0.287	C	395	309	32	0	0	0	[[68, 361]]	1.0	5kkr	Oryctolagus cuniculus	STE_MAP2K1_RABIT	STE	2.5e-97	331.3	1	257	257	207	208	209	211	213	97	114	118	187	189	188	190	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1

PDB: 5KKR — 2 kinases

Total number of chains: 1

Active chains: 0

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLBplus	1	100.0%	5KKRC

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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	MAP2K1	MP2K1_RABIT	5KKRC	P29678	41	381	393.0	No_ligand	No_ligand	Inactive	DFGin	5.686	14.721	BLBplus	-158.86, 161.03	54.66, 76.63	-127.36, 155.38	51.94, 88.12	-65.72, 114.93	out-out	out	16.767	Saltbr-out	17.598	HRD-in	-80.0, -34.43	65.62, -12.22	out-out-out	SNCooo	out-out	ActLoopNT-out	9.889	ActLoopCT-out	nonTYR	APEdihe_aaooo	APEdist_oooo	APE10-dihe-na	-95.67, -78.94	APE9-dihe-na	120.42, 151.43	APE8-dihe-out	-85.94, -11.72	APE8-rot-out	171.08	APE67-dihe-out	-107.86, 142.56	-124.16, 111.31	APE12-dist-out	16.067	APE11-dist-out	19.744	APE10-dist-out	21.348	APE9-dist-out	14.233	None	None	None	XRAY	3.509	0.252	0.287	C	395	309	32	0	0	0	[[68, 361]]	1.0	5kkr	Oryctolagus cuniculus	STE_MAP2K1_RABIT	STE	2.5e-97	331.3	1	257	257	207	208	209	211	213	97	114	118	187	189	188	190	245	233	228	227	226	225	224	223	222	144	Dual specificity mitogen-activated protein kinase kinase 1