KinCore

Ligand: SGV

Total number of chains: 7

Active chains: 4

Total number of genes: 2

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	5	71.4%	4TNBA
DFGin	ABAminus	1	14.3%	9CKOA
DFGin	None	1	14.3%	6PJXA

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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
AGC	GRK5	GRK5_HUMAN	9CKOA	P34947	1	542	590.0	SGV:602	Type1	Inactive	DFGin	5.808	12.4965	ABAminus	-119.73, -59.76	-93.86, 94.44	-93.46, 16.21	299.92, 79.42	-62.04, -34.62	in-in	in	8.4255	Saltbr-in	2.5213	HRD-in	-104.67, -57.7	74.0, 4.5	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8204	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-125.51, 140.14	APE9-dihe-na	146.41, -176.34	APE8-dihe-in	-106.42, 130.54	APE8-rot-in	306.78	APE67-dihe-inflip	81.24, -12.9	-51.64, 146.1	APE12-dist-in	10.4519	APE11-dist-in	12.1181	APE10-dist-in	6.1554	APE9-dist-in	3.7174	None	None	None	XRAY	2.8	0.243	0.28	A	598.0	540.0	0	27	27	0	[[186, 448]]	1.0	9cko	AGC_GRK5_HUMAN	AGC	5.9e-84	287.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	4TNBA	P34947	15	543	590.0	SGV:601	Type1	Active	DFGin	5.1347	12.7402	BLAminus	-123.5, 176.17	54.54, 74.38	-84.69, 6.5	286.26, 112.63	-51.75, -34.18	in-in	in	9.0014	Saltbr-in	2.528	HRD-in	-77.08, -45.38	66.65, 0.7	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9615	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.74, 150.87	APE9-dihe-na	143.24, -163.75	APE8-dihe-in	-110.5, 150.66	APE8-rot-in	315.23	APE67-dihe-inflip	90.86, -23.2	-67.3, 136.98	APE12-dist-in	10.7387	APE11-dist-in	11.8747	APE10-dist-in	5.9463	APE9-dist-in	4.1118	None	None	None	XRAY	2.113	0.175	0.232	A	590.0	529.0	0	27	27	0	[[186, 448]]	1.0	4tnb	AGC_GRK5_HUMAN	AGC	1.1e-83	286.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	9CKPA	P34947	1	542	590.0	SGV:602	Type1	Active	DFGin	5.3856	11.9802	BLAminus	-132.87, 164.94	63.45, 71.08	-85.64, 18.91	320.14, 3.39	-67.22, -15.79	in-in	in	8.9749	Saltbr-in	3.5693	HRD-in	-105.81, -54.45	67.93, 0.86	in-in-in	SNCiii	in-in	ActLoopNT-in	3.2698	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-108.75, 161.15	APE9-dihe-na	132.47, 178.17	APE8-dihe-in	-105.33, 153.16	APE8-rot-in	325.98	APE67-dihe-inflip	78.63, 4.41	-62.29, 127.28	APE12-dist-in	10.0337	APE11-dist-in	12.2231	APE10-dist-in	6.3492	APE9-dist-in	4.1919	D311N	None	None	XRAY	2.6	0.236	0.27	A	598.0	538.0	0	27	27	0	[[186, 448]]	1.0	9ckp	AGC_GRK5_HUMAN	AGC	7.6e-83	283.7	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	9MX2A	P34947	1	542	590.0	SGV:60601	Type1	Inactive	DFGin	5.5284	11.483	BLAminus	-134.92, 166.93	57.12, 70.75	-87.84, 20.9	322.36, 5.46	-68.95, -14.98	in-out	in	8.3529	Saltbr-out	3.6263	HRD-in	-110.96, -57.41	68.72, 2.93	out-in-in	SNCoii	in-in	ActLoopNT-in	3.3639	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-112.2, 161.4	APE9-dihe-na	129.58, 177.82	APE8-dihe-in	-100.27, 150.38	APE8-rot-in	311.4	APE67-dihe-inflip	86.26, -1.66	-66.59, 129.67	APE12-dist-in	10.1545	APE11-dist-in	12.3907	APE10-dist-in	6.5105	APE9-dist-in	4.1735	D311N	None	None	XRAY	3.9	0.284	0.346	A	599.0	538.0	0	27	27	0	[[186, 448]]	1.0	9mx2	AGC_GRK5_HUMAN	AGC	7.6e-83	283.7	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	6PJXA	P34947	1	542	590.0	SGV:60601	Type1	Inactive	DFGin	5.2367	11.8767	None	-101.92, -82.66	-75.73, 114.06	-96.27, 14.0	297.14, 3.15	-60.02, -23.28	in-in	in	8.7999	Saltbr-in	2.3601	HRD-in	-81.73, -51.04	76.16, -8.97	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8132	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.38, 158.39	APE9-dihe-na	127.63, -164.44	APE8-dihe-in	-112.45, 140.59	APE8-rot-in	303.57	APE67-dihe-inflip	81.94, -9.46	-52.3, 137.55	APE12-dist-in	9.8463	APE11-dist-in	11.9422	APE10-dist-in	6.1145	APE9-dist-in	4.4639	E104K,R304H,G438E	None	None	XRAY	1.96	0.197	0.23	A	591.0	542.0	0	27	27	0	[[186, 448]]	1.0	6pjx	AGC_GRK5_HUMAN	AGC	1.1e-83	286.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK6	GRK6_HUMAN	3NYNA	P43250	2	557	576.0	SGV:60577	Type1	Active	DFGin	6.6451	12.6795	BLAminus	-161.03, 177.65	50.76, 84.33	-106.7, 25.79	281.1, 79.92	-51.73, -45.29	in-in	in	8.3118	Saltbr-in	2.7656	HRD-in	-85.94, -51.42	62.16, 25.53	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-145.0, 146.47	APE9-dihe-na	148.26, -154.46	APE8-dihe-in	-112.6, 137.1	APE8-rot-in	298.15	APE67-dihe-inflip	129.81, -32.33	-65.27, 111.53	APE12-dist-in	9.9474	APE11-dist-in	11.8071	APE10-dist-in	6.0596	APE9-dist-in	3.6569	None	None	None	XRAY	2.72	0.227	0.238	A	576.0	553.0	3	27	27	0	[[186, 448]]	1.0	3nyn	AGC_GRK6_HUMAN	AGC	2e-85	292.1	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 6
AGC	GRK6	GRK6_HUMAN	3NYNB	P43250	2	557	576.0	SGV:60577	Type1	Active	DFGin	6.7271	12.8243	BLAminus	-165.39, 175.41	57.11, 63.92	-91.01, 39.72	289.62, 84.65	-64.54, -42.76	in-in	in	8.3207	Saltbr-in	2.9278	HRD-in	-79.96, -51.35	60.14, 27.4	in-in-in	SNCiii	in-in	ActLoopNT-in	3.1932	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-144.23, 144.63	APE9-dihe-na	148.65, -158.33	APE8-dihe-in	-111.02, 128.64	APE8-rot-in	289.73	APE67-dihe-inflip	120.73, -19.06	-60.78, 111.9	APE12-dist-in	10.0864	APE11-dist-in	11.7778	APE10-dist-in	6.0299	APE9-dist-in	3.5907	None	None	None	XRAY	2.72	0.227	0.238	B	576.0	553.0	3	27	27	0	[[186, 448]]	1.0	3nyn	AGC_GRK6_HUMAN	AGC	2e-85	292.1	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 6

Ligand: SGV

Total number of chains: 11

Active chains: 5

Total number of genes: 3

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	9	81.8%	4TNBA
DFGin	ABAminus	1	9.1%	9CKOA
DFGin	None	1	9.1%	6PJXA

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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
AGC	GRK1	GRK1_BOVIN	7MT9G	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	5.6744	13.0596	BLAminus	-151.44, 153.5	75.1, 83.16	-101.64, 23.22	308.74, 9.79	-95.55, -5.25	in-out	in	8.3758	Saltbr-out	3.7806	HRD-out	-84.42, -25.78	58.78, -116.78	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9966	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iiio	APE10-dihe-na	-156.18, 168.76	APE9-dihe-na	65.79, -175.16	APE8-dihe-in	-118.77, 133.16	APE8-rot-in	303.35	APE67-dihe-inflip	85.9, 7.81	-39.32, 131.4	APE12-dist-in	12.4268	APE11-dist-in	12.0285	APE10-dist-in	6.4797	APE9-dist-out	6.7808	None	None	None	EM	7.0	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mt9	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MT8G	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	5.2778	13.8515	BLAminus	-151.24, 148.8	73.0, 121.86	-132.91, 52.67	297.42, 171.65	-103.81, -13.33	in-in	in	8.7716	Saltbr-in	3.2791	HRD-in	-93.25, -20.41	75.09, -77.24	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0353	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-159.01, 152.4	APE9-dihe-na	69.43, 177.13	APE8-dihe-in	-91.35, 141.08	APE8-rot-out	53.33	APE67-dihe-inflip	95.78, 14.3	-52.12, 148.5	APE12-dist-in	10.7091	APE11-dist-in	10.3507	APE10-dist-in	4.9503	APE9-dist-in	3.4095	S5E,S488E,T489E	None	None	EM	5.8	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mt8	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MTAG	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	4.0904	13.8437	BLAminus	-167.88, 170.04	60.34, 64.21	-82.37, 97.38	303.24, 179.85	-89.6, -128.64	in-out	in	8.6589	Saltbr-out	5.1993	HRD-in	-95.2, -46.79	83.22, -60.37	out-in-in	SNCoii	in-in	ActLoopNT-in	3.0912	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-124.79, 133.35	APE9-dihe-na	142.18, 170.18	APE8-dihe-in	-78.99, 123.97	APE8-rot-in	304.47	APE67-dihe-inflip	89.96, 4.75	-51.0, 134.99	APE12-dist-in	11.1037	APE11-dist-in	11.0248	APE10-dist-in	5.5893	APE9-dist-in	3.7938	S5E,S488E,T489E	None	None	EM	4.1	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mta	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MTBG	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Active	DFGin	5.4472	13.977	BLAminus	-158.7, 161.68	75.49, 110.48	-135.3, 45.5	298.35, 172.26	-102.18, -14.04	in-in	in	8.1835	Saltbr-in	3.2327	HRD-in	-84.4, -44.53	73.27, 9.15	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0388	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-63.06, 150.99	APE9-dihe-na	114.44, 173.54	APE8-dihe-in	-100.2, 123.65	APE8-rot-in	303.1	APE67-dihe-inflip	95.63, -25.77	-41.47, 136.01	APE12-dist-in	10.1039	APE11-dist-in	10.473	APE10-dist-in	4.8138	APE9-dist-in	3.2162	S5E,S488E,T489E	None	None	EM	4.0	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mtb	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK5	GRK5_HUMAN	9CKOA	P34947	1	542	590.0	SGV:602	Type1	Inactive	DFGin	5.808	12.4965	ABAminus	-119.73, -59.76	-93.86, 94.44	-93.46, 16.21	299.92, 79.42	-62.04, -34.62	in-in	in	8.4255	Saltbr-in	2.5213	HRD-in	-104.67, -57.7	74.0, 4.5	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8204	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-125.51, 140.14	APE9-dihe-na	146.41, -176.34	APE8-dihe-in	-106.42, 130.54	APE8-rot-in	306.78	APE67-dihe-inflip	81.24, -12.9	-51.64, 146.1	APE12-dist-in	10.4519	APE11-dist-in	12.1181	APE10-dist-in	6.1554	APE9-dist-in	3.7174	None	None	None	XRAY	2.8	0.243	0.28	A	598.0	540.0	0	27	27	0	[[186, 448]]	1.0	9cko	Homo sapiens	AGC_GRK5_HUMAN	AGC	5.9e-84	287.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	4TNBA	P34947	15	543	590.0	SGV:601	Type1	Active	DFGin	5.1347	12.7402	BLAminus	-123.5, 176.17	54.54, 74.38	-84.69, 6.5	286.26, 112.63	-51.75, -34.18	in-in	in	9.0014	Saltbr-in	2.528	HRD-in	-77.08, -45.38	66.65, 0.7	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9615	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.74, 150.87	APE9-dihe-na	143.24, -163.75	APE8-dihe-in	-110.5, 150.66	APE8-rot-in	315.23	APE67-dihe-inflip	90.86, -23.2	-67.3, 136.98	APE12-dist-in	10.7387	APE11-dist-in	11.8747	APE10-dist-in	5.9463	APE9-dist-in	4.1118	None	None	None	XRAY	2.113	0.175	0.232	A	590.0	529.0	0	27	27	0	[[186, 448]]	1.0	4tnb	Homo sapiens	AGC_GRK5_HUMAN	AGC	1.1e-83	286.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	9CKPA	P34947	1	542	590.0	SGV:602	Type1	Active	DFGin	5.3856	11.9802	BLAminus	-132.87, 164.94	63.45, 71.08	-85.64, 18.91	320.14, 3.39	-67.22, -15.79	in-in	in	8.9749	Saltbr-in	3.5693	HRD-in	-105.81, -54.45	67.93, 0.86	in-in-in	SNCiii	in-in	ActLoopNT-in	3.2698	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-108.75, 161.15	APE9-dihe-na	132.47, 178.17	APE8-dihe-in	-105.33, 153.16	APE8-rot-in	325.98	APE67-dihe-inflip	78.63, 4.41	-62.29, 127.28	APE12-dist-in	10.0337	APE11-dist-in	12.2231	APE10-dist-in	6.3492	APE9-dist-in	4.1919	D311N	None	None	XRAY	2.6	0.236	0.27	A	598.0	538.0	0	27	27	0	[[186, 448]]	1.0	9ckp	Homo sapiens	AGC_GRK5_HUMAN	AGC	7.6e-83	283.7	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	9MX2A	P34947	1	542	590.0	SGV:60601	Type1	Inactive	DFGin	5.5284	11.483	BLAminus	-134.92, 166.93	57.12, 70.75	-87.84, 20.9	322.36, 5.46	-68.95, -14.98	in-out	in	8.3529	Saltbr-out	3.6263	HRD-in	-110.96, -57.41	68.72, 2.93	out-in-in	SNCoii	in-in	ActLoopNT-in	3.3639	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-112.2, 161.4	APE9-dihe-na	129.58, 177.82	APE8-dihe-in	-100.27, 150.38	APE8-rot-in	311.4	APE67-dihe-inflip	86.26, -1.66	-66.59, 129.67	APE12-dist-in	10.1545	APE11-dist-in	12.3907	APE10-dist-in	6.5105	APE9-dist-in	4.1735	D311N	None	None	XRAY	3.9	0.284	0.346	A	599.0	538.0	0	27	27	0	[[186, 448]]	1.0	9mx2	Homo sapiens	AGC_GRK5_HUMAN	AGC	7.6e-83	283.7	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK5	GRK5_HUMAN	6PJXA	P34947	1	542	590.0	SGV:60601	Type1	Inactive	DFGin	5.2367	11.8767	None	-101.92, -82.66	-75.73, 114.06	-96.27, 14.0	297.14, 3.15	-60.02, -23.28	in-in	in	8.7999	Saltbr-in	2.3601	HRD-in	-81.73, -51.04	76.16, -8.97	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8132	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-133.38, 158.39	APE9-dihe-na	127.63, -164.44	APE8-dihe-in	-112.45, 140.59	APE8-rot-in	303.57	APE67-dihe-inflip	81.94, -9.46	-52.3, 137.55	APE12-dist-in	9.8463	APE11-dist-in	11.9422	APE10-dist-in	6.1145	APE9-dist-in	4.4639	E104K,R304H,G438E	None	None	XRAY	1.96	0.197	0.23	A	591.0	542.0	0	27	27	0	[[186, 448]]	1.0	6pjx	Homo sapiens	AGC_GRK5_HUMAN	AGC	1.1e-83	286.4	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 5
AGC	GRK6	GRK6_HUMAN	3NYNA	P43250	2	557	576.0	SGV:60577	Type1	Active	DFGin	6.6451	12.6795	BLAminus	-161.03, 177.65	50.76, 84.33	-106.7, 25.79	281.1, 79.92	-51.73, -45.29	in-in	in	8.3118	Saltbr-in	2.7656	HRD-in	-85.94, -51.42	62.16, 25.53	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-145.0, 146.47	APE9-dihe-na	148.26, -154.46	APE8-dihe-in	-112.6, 137.1	APE8-rot-in	298.15	APE67-dihe-inflip	129.81, -32.33	-65.27, 111.53	APE12-dist-in	9.9474	APE11-dist-in	11.8071	APE10-dist-in	6.0596	APE9-dist-in	3.6569	None	None	None	XRAY	2.72	0.227	0.238	A	576.0	553.0	3	27	27	0	[[186, 448]]	1.0	3nyn	Homo sapiens	AGC_GRK6_HUMAN	AGC	2e-85	292.1	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 6
AGC	GRK6	GRK6_HUMAN	3NYNB	P43250	2	557	576.0	SGV:60577	Type1	Active	DFGin	6.7271	12.8243	BLAminus	-165.39, 175.41	57.11, 63.92	-91.01, 39.72	289.62, 84.65	-64.54, -42.76	in-in	in	8.3207	Saltbr-in	2.9278	HRD-in	-79.96, -51.35	60.14, 27.4	in-in-in	SNCiii	in-in	ActLoopNT-in	3.1932	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-144.23, 144.63	APE9-dihe-na	148.65, -158.33	APE8-dihe-in	-111.02, 128.64	APE8-rot-in	289.73	APE67-dihe-inflip	120.73, -19.06	-60.78, 111.9	APE12-dist-in	10.0864	APE11-dist-in	11.7778	APE10-dist-in	6.0299	APE9-dist-in	3.5907	None	None	None	XRAY	2.72	0.227	0.238	B	576.0	553.0	3	27	27	0	[[186, 448]]	1.0	3nyn	Homo sapiens	AGC_GRK6_HUMAN	AGC	2e-85	292.1	1.0	260.0	260.0	328	329	330	332	334	215	234	238	308	310	309	311.0	367	355	350	349	348	347	346	345	344	264	G protein-coupled receptor kinase 6

Ligand: SGV

Total number of chains: 4

Active chains: 1

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	100.0%	7MTBG

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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
AGC	GRK1	GRK1_BOVIN	7MT9G	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	5.6744	13.0596	BLAminus	-151.44, 153.5	75.1, 83.16	-101.64, 23.22	308.74, 9.79	-95.55, -5.25	in-out	in	8.3758	Saltbr-out	3.7806	HRD-out	-84.42, -25.78	58.78, -116.78	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9966	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iiio	APE10-dihe-na	-156.18, 168.76	APE9-dihe-na	65.79, -175.16	APE8-dihe-in	-118.77, 133.16	APE8-rot-in	303.35	APE67-dihe-inflip	85.9, 7.81	-39.32, 131.4	APE12-dist-in	12.4268	APE11-dist-in	12.0285	APE10-dist-in	6.4797	APE9-dist-out	6.7808	None	None	None	EM	7.0	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mt9	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MT8G	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	5.2778	13.8515	BLAminus	-151.24, 148.8	73.0, 121.86	-132.91, 52.67	297.42, 171.65	-103.81, -13.33	in-in	in	8.7716	Saltbr-in	3.2791	HRD-in	-93.25, -20.41	75.09, -77.24	in-in-out	SNCiio	in-out	ActLoopNT-in	3.0353	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iiii	APE10-dihe-na	-159.01, 152.4	APE9-dihe-na	69.43, 177.13	APE8-dihe-in	-91.35, 141.08	APE8-rot-out	53.33	APE67-dihe-inflip	95.78, 14.3	-52.12, 148.5	APE12-dist-in	10.7091	APE11-dist-in	10.3507	APE10-dist-in	4.9503	APE9-dist-in	3.4095	S5E,S488E,T489E	None	None	EM	5.8	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mt8	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MTAG	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Inactive	DFGin	4.0904	13.8437	BLAminus	-167.88, 170.04	60.34, 64.21	-82.37, 97.38	303.24, 179.85	-89.6, -128.64	in-out	in	8.6589	Saltbr-out	5.1993	HRD-in	-95.2, -46.79	83.22, -60.37	out-in-in	SNCoii	in-in	ActLoopNT-in	3.0912	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-124.79, 133.35	APE9-dihe-na	142.18, 170.18	APE8-dihe-in	-78.99, 123.97	APE8-rot-in	304.47	APE67-dihe-inflip	89.96, 4.75	-51.0, 134.99	APE12-dist-in	11.1037	APE11-dist-in	11.0248	APE10-dist-in	5.5893	APE9-dist-in	3.7938	S5E,S488E,T489E	None	None	EM	4.1	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mta	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1
AGC	GRK1	GRK1_BOVIN	7MTBG	P28327	6	508	561.0	SGV:601,SGV:601,SGV:601,SGV:601,SGV:601,SGV:601	Type1,Type1,Type1,Type1,Type1,Type1	Active	DFGin	5.4472	13.977	BLAminus	-158.7, 161.68	75.49, 110.48	-135.3, 45.5	298.35, 172.26	-102.18, -14.04	in-in	in	8.1835	Saltbr-in	3.2327	HRD-in	-84.4, -44.53	73.27, 9.15	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0388	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-63.06, 150.99	APE9-dihe-na	114.44, 173.54	APE8-dihe-in	-100.2, 123.65	APE8-rot-in	303.1	APE67-dihe-inflip	95.63, -25.77	-41.47, 136.01	APE12-dist-in	10.1039	APE11-dist-in	10.473	APE10-dist-in	4.8138	APE9-dist-in	3.2162	S5E,S488E,T489E	None	None	EM	4.0	999.0	999.0	G	543.0	346.0	0	28	28	0	[[187, 452]]	1.0	7mtb	Bos taurus	AGC_GRK1_BOVIN	AGC	3.1e-80	275.1	4.0	260.0	257.0	331	332	333	335	337	216	235	239	311	313	312	314.0	371	359	354	353	352	351	350	349	348	265	Rhodopsin kinase GRK1