KinCore

Ligand: ADN

Total number of chains: 20

Active chains: 8

Total number of genes: 10

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	12	60.0%	5LVNA
DFGin	ABAminus	4	20.0%	8SE4B
DFGin	None	2	10.0%	4O0UA
DFGin	BLBminus	1	5.0%	2EVAA
DFGinter	None	1	5.0%	1MUOA

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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	PDPK1	PDPK1_HUMAN	5LVNA	O15530	75	359	556.0	ADN:402	Type1	Active	DFGin	6.4926	14.7837	BLAminus	-138.56, -175.41	73.41, 75.09	-105.63, 5.44	285.54, 101.95	-63.79, -19.6	in-in	in	8.4347	Saltbr-in	2.7393	HRD-in	-74.59, -52.51	78.18, -12.02	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8995	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-138.48, 161.66	APE9-dihe-na	136.02, -164.27	APE8-dihe-in	-134.21, 135.25	APE8-rot-in	295.47	APE67-dihe-in	-61.9, -23.15	-53.94, -45.84	APE12-dist-in	7.4385	APE11-dist-in	10.5331	APE10-dist-in	4.8932	APE9-dist-in	3.5664	Y288G,Q292A	SEP241	SEP241	XRAY	1.379	0.135	0.162	A	311.0	285.0	0	30	30	0	[[82, 342]]	1.0	5lvn	AGC_PDPK1_HUMAN	AGC	6.9e-84	286.9	1.0	260.0	260.0	222	223	224	226	228	111	130	134	202	204	203	205.0	264	252	247	246	245	244	243	242	241	160	3-phosphoinositide-dependent protein kinase 1
AGC	PRKCB	KPCB_HUMAN	8SE4B	P05771	30	671	671.0	ADN:701	Type1	Inactive	DFGin	5.7378	12.9707	ABAminus	-126.66, -34.17	-84.97, 112.43	-117.68, 39.4	296.69, 93.7	-74.7, -30.34	in-in	in	8.2598	Saltbr-in	2.5101	HRD-in	-88.0, -50.22	70.29, 1.81	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0733	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-157.54, 164.05	APE9-dihe-na	118.34, -179.99	APE8-dihe-in	-91.65, 129.4	APE8-rot-in	306.62	APE67-dihe-in	-69.42, -21.97	-51.1, -33.02	APE12-dist-in	8.6322	APE11-dist-in	11.7828	APE10-dist-in	6.2614	APE9-dist-in	3.7761	None	TPO500,TPO642,SEP661	TPO500,TPO642,SEP661	XRAY	2.68	0.206	0.258	B	672.0	589.0	0	28	28	0	[[342, 600]]	1.0	8se4	AGC_PRKCB_HUMAN	AGC	1.5e-97	332.1	1.0	260.0	260.0	483	484	485	487	489	371	390	394	463	465	464	466.0	523	511	506	505	504	503	502	501	500	421	Protein kinase C beta type
CAMK	AURKA	AURKA_HUMAN	4O0SA	O14965	126	391	403.0	ADN:500	Type1	Inactive	DFGin	6.0576	16.5586	BLAminus	-149.62, -178.05	57.82, 65.99	-83.76, 4.5	260.08, 87.32	-48.25, -52.63	out-out	out	10.5115	Saltbr-out	4.1117	HRD-in	-67.13, -53.86	77.45, -15.34	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9445	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-80.39, -35.33	APE9-dihe-na	-145.46, 176.17	APE8-dihe-in	-59.32, 141.88	APE8-rot-out	196.74	APE67-dihe-in	-51.21, -41.15	-95.86, -1.7	APE12-dist-in	12.4771	APE11-dist-in	13.4802	APE10-dist-out	10.7317	APE9-dist-out	11.0274	None	None	None	XRAY	2.5	0.238	0.25	A	282.0	265.0	1	26	25	1	[[133, 383]]	1.0	4o0s	CAMK_AURKA_HUMAN	CAMK	7.4e-80	273.9	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	4O0WA	O14965	125	391	403.0	ADN:501	Type1	Inactive	DFGin	6.2719	16.5981	None	-99.25, -54.63	-80.04, -74.28	72.86, -1.54	279.35, 93.09	-53.76, -20.49	out-out	out	11.3192	Saltbr-out	4.9936	HRD-in	-77.36, -61.61	76.79, -35.67	out-in-out	SNCoio	in-out	ActLoopNT-in	2.7811	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nioo	APE10-dihe-na	-96.78, 99.9	APE9-dihe-na	173.74, 169.14	APE8-dihe-in	-81.74, 143.07	APE8-rot-out	200.15	APE67-dihe-in	-47.45, -41.6	-91.34, -9.3	APE12-dist-none	999.0	APE11-dist-in	12.2482	APE10-dist-out	14.98	APE9-dist-out	11.7548	H254Y	None	None	XRAY	2.6	0.246	0.277	A	282.0	259.0	8	26	18	8	[[133, 383]]	1.0	4o0w	CAMK_AURKA_HUMAN	CAMK	1.5e-78	269.6	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	4O0UA	O14965	126	391	403.0	ADN:501	Type1	Inactive	DFGin	6.2642	11.4304	None	-100.67, -17.12	-134.58, 129.02	-80.64, -37.58	28.72, 51.86	64.49, -126.4	out-out	out	12.2241	Saltbr-out	10.2319	HRD-out	-138.46, 154.69	-78.12, -46.1	out-in-out	SNCoio	in-out	ActLoopNT-in	3.5193	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-78.11, -47.49	APE9-dihe-na	-96.12, 155.1	APE8-dihe-in	-73.36, 140.7	APE8-rot-out	180.88	APE67-dihe-in	-47.54, -36.76	-84.86, -11.52	APE12-dist-out	18.1413	APE11-dist-out	15.8917	APE10-dist-out	13.345	APE9-dist-out	11.2984	H254R	None	None	XRAY	2.6	0.236	0.273	A	282.0	259.0	7	26	19	7	[[133, 383]]	1.0	4o0u	CAMK_AURKA_HUMAN	CAMK	3.5e-78	268.4	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	1MUOA	O14965	128	388	403.0	ADN:1	Type1	Inactive	DFGinter	5.924	9.0061	None	-137.2, 91.65	-102.67, 104.14	-141.95, -158.0	317.38, 80.93	-72.97, -80.68	out-out	out	11.3153	Saltbr-out	7.8585	HRD-out	-71.01, -147.46	164.07, -11.44	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nooo	APE10-dihe-na	-39.4, -7.29	APE9-dihe-na	-9.41, -37.67	APE8-dihe-out	-44.74, -65.33	APE8-rot-in	311.2	APE67-dihe-in	-15.91, -41.07	-76.59, -51.98	APE12-dist-none	999.0	APE11-dist-out	18.1963	APE10-dist-out	19.8486	APE9-dist-out	11.811	None	None	None	XRAY	2.9	0.26	0.29	A	297.0	251.0	10	26	16	10	[[133, 383]]	1.0	1muo	CAMK_AURKA_HUMAN	CAMK	8.9e-80	273.7	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	PIM1	PIM1_HUMAN	1YI4A	P11309	33	305	313.0	ADN:306	Type1	Active	DFGin	6.0722	14.6981	BLAminus	-134.71, 164.97	59.13, 80.78	-89.82, 21.93	287.09, 72.06	-64.68, -12.33	in-in	in	8.788	Saltbr-in	2.7168	HRD-naA	-68.53, -44.87	69.57, -1.62	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9339	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-124.9, 36.65	APE9-dihe-na	-82.94, -132.28	APE8-dihe-in	-114.84, 117.13	APE8-rot-in	309.09	APE67-dihe-in	-54.56, -19.23	-51.71, -52.26	APE12-dist-in	9.605	APE11-dist-in	8.6743	APE10-dist-in	5.878	APE9-dist-in	4.1822	None	SEP261	CME161,SEP261	XRAY	2.4	0.21	0.246	A	273.0	269.0	4	26	26	0	[[38, 290]]	1.0	1yi4	CAMK_PIM1_HUMAN	CAMK	2.4e-65	226.3	1.0	256.0	256.0	185	186	187	189	191	67	89	93	164	166	165	167.0	224	211	206	205	204	203	202	201	200	121	Serine/threonine-protein kinase pim-1
CK1	CSNK1D	KC1D_HUMAN	7P7FC	P48730	4	294	415.0	ADN:307	Type1	Active	DFGin	6.2866	14.7736	BLAminus	-127.27, 170.02	72.27, 90.59	-100.52, 22.08	289.81, 85.32	-63.29, -31.3	in-in	in	7.9327	Saltbr-in	2.6298	HRD-in	-80.78, -51.31	76.2, 11.32	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9176	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-91.83, -40.42	APE9-dihe-na	-88.08, -154.15	APE8-dihe-in	-92.07, 119.61	APE8-rot-in	316.8	APE67-dihe-in	-56.43, -36.06	-56.0, -37.52	APE12-dist-in	12.6926	APE11-dist-in	12.1168	APE10-dist-in	6.3912	APE9-dist-in	4.3241	None	TPO220	TPO220	XRAY	1.96	0.19	0.221	C	296.0	285.0	6	35	29	6	[[9, 275]]	1.0	7p7f	CK1_CSNK1D_HUMAN	CK1	1.6e-122	413.9	1.0	262.0	262.0	148	149	150	152	154	38	52	56	125	127	126	128.0	195	183	178	177	176	175	174	173	172	83	Casein kinase I isoform delta
CK1	CSNK1D	KC1D_HUMAN	7P7FD	P48730	4	294	415.0	ADN:309	Type1	Active	DFGin	6.2242	14.7673	BLAminus	-126.64, 169.11	73.89, 91.36	-99.69, 21.56	289.8, 84.96	-66.02, -29.96	in-in	in	7.9518	Saltbr-in	2.6672	HRD-in	-81.57, -51.69	78.22, 8.75	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8945	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-96.24, -37.1	APE9-dihe-na	-85.95, -158.82	APE8-dihe-in	-90.13, 119.34	APE8-rot-in	319.47	APE67-dihe-in	-54.92, -36.79	-58.02, -35.64	APE12-dist-in	13.3705	APE11-dist-in	12.2221	APE10-dist-in	6.519	APE9-dist-in	4.3624	None	TPO220	TPO220	XRAY	1.96	0.19	0.221	D	296.0	285.0	6	35	29	6	[[9, 275]]	1.0	7p7f	CK1_CSNK1D_HUMAN	CK1	1.6e-122	413.9	1.0	262.0	262.0	148	149	150	152	154	38	52	56	125	127	126	128.0	195	183	178	177	176	175	174	173	172	83	Casein kinase I isoform delta
CMGC	CDK9	CDK9_HUMAN	4OGRA	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	6.9587	14.852	BLAminus	-145.48, 171.71	58.99, 73.11	-88.05, 19.07	282.19, 75.89	-59.04, -25.77	in-in	in	8.622	Saltbr-in	3.2016	HRD-in	-78.29, -48.1	62.83, 28.93	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8854	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.59, 171.14	APE9-dihe-na	70.34, 130.75	APE8-dihe-in	-51.49, 135.3	APE8-rot-in	303.62	APE67-dihe-in	-61.39, -34.94	-50.28, -42.94	APE12-dist-in	13.2451	APE11-dist-in	11.4816	APE10-dist-in	6.7057	APE9-dist-in	3.2055	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	A	332.0	315.0	8	32	32	0	[[19, 315]]	1.0	4ogr	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	CDK9	CDK9_HUMAN	4OGRE	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	7.086	14.7487	BLAminus	-145.95, 172.29	59.47, 72.14	-89.89, 19.36	283.65, 75.49	-58.97, -26.2	in-in	in	8.8012	Saltbr-in	2.9314	HRD-in	-77.91, -48.96	62.4, 28.78	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8481	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.99, 169.74	APE9-dihe-na	65.95, 134.0	APE8-dihe-in	-52.43, 138.08	APE8-rot-in	303.65	APE67-dihe-in	-62.11, -36.08	-50.82, -43.72	APE12-dist-in	13.2144	APE11-dist-in	11.1773	APE10-dist-in	6.7991	APE9-dist-in	3.4289	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	E	332.0	311.0	12	32	32	0	[[19, 315]]	1.0	4ogr	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	CDK9	CDK9_HUMAN	4OGRI	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	7.0203	14.8566	BLAminus	-146.32, 171.3	58.62, 73.81	-88.0, 20.33	283.45, 75.93	-58.21, -25.18	in-in	in	8.7536	Saltbr-in	3.2525	HRD-in	-77.88, -47.68	62.44, 29.24	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9367	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-131.71, 169.37	APE9-dihe-na	67.96, 131.32	APE8-dihe-in	-52.01, 135.85	APE8-rot-in	303.33	APE67-dihe-in	-60.26, -34.97	-51.39, -42.17	APE12-dist-in	13.226	APE11-dist-in	11.0359	APE10-dist-in	6.5244	APE9-dist-in	3.1268	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	I	332.0	319.0	4	32	32	0	[[19, 315]]	1.0	4ogr	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	MAPK8	MK08_HUMAN	5LW1B	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.4197	14.4478	ABAminus	-83.29, -51.84	-118.5, -177.73	-115.08, 20.0	298.98, 87.21	71.2, -159.63	out-out	out	10.4298	Saltbr-out	3.8124	HRD-in	-68.61, -60.19	64.51, 12.83	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4773	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-136.58, 144.4	APE9-dihe-na	-122.04, 105.79	APE8-dihe-out	-71.41, -33.58	APE8-rot-in	307.18	APE67-dihe-in	-61.62, -32.85	-63.18, -22.53	APE12-dist-out	20.0348	APE11-dist-out	18.2025	APE10-dist-out	13.7638	APE9-dist-out	11.7502	None	None	None	XRAY	3.2	0.177	0.212	B	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
CMGC	MAPK8	MK08_HUMAN	5LW1E	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.1748	14.0755	ABAminus	-82.51, -53.19	-119.45, -176.34	-115.64, 20.66	300.14, 87.37	72.63, -160.31	in-out	in	9.9432	Saltbr-out	4.611	HRD-in	-68.12, -61.52	63.83, 14.63	out-out-out	SNCooo	out-out	ActLoopNT-out	6.8826	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-137.31, 145.55	APE9-dihe-na	-120.94, 104.94	APE8-dihe-out	-71.75, -32.64	APE8-rot-in	307.04	APE67-dihe-in	-62.19, -31.77	-62.28, -22.63	APE12-dist-out	20.0912	APE11-dist-out	18.3879	APE10-dist-out	14.0865	APE9-dist-out	12.0009	None	None	None	XRAY	3.2	0.177	0.212	E	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
CMGC	MAPK8	MK08_HUMAN	5LW1H	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.1303	14.3776	ABAminus	-82.43, -51.23	-118.2, -176.9	-114.7, 20.75	298.45, 87.29	72.11, -159.03	out-out	out	10.2847	Saltbr-out	3.7377	HRD-in	-69.31, -61.29	63.64, 13.39	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4743	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-136.56, 144.9	APE9-dihe-na	-119.98, 105.48	APE8-dihe-out	-71.78, -33.35	APE8-rot-in	307.69	APE67-dihe-in	-61.37, -31.81	-63.06, -22.73	APE12-dist-out	20.0957	APE11-dist-out	18.3691	APE10-dist-out	13.9653	APE9-dist-out	11.9943	None	None	None	XRAY	3.2	0.177	0.212	H	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
STE	TNIK	TNIK_HUMAN	8WM0A	Q9UKE5	12	310	1360.0	ADN:401	Type1	Active	DFGin	6.6845	14.4285	BLAminus	-137.99, 169.89	73.28, 84.67	-101.61, 23.01	291.08, 82.33	-60.26, -43.27	in-in	in	9.6989	Saltbr-in	3.5656	HRD-in	-74.37, -47.31	76.19, -3.3	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9398	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-157.58, 162.14	APE9-dihe-na	103.93, -165.27	APE8-dihe-in	-107.19, 120.81	APE8-rot-in	307.37	APE67-dihe-in	-60.27, -41.62	-35.76, -53.6	APE12-dist-in	8.7068	APE11-dist-in	11.7674	APE10-dist-in	6.1205	APE9-dist-in	3.4202	None	TPO181,TPO187	TPO181,TPO187	XRAY	2.8	0.233	0.285	A	306.0	299.0	0	28	28	0	[[25, 289]]	1.0	8wm0	STE_TNIK_HUMAN	STE	3e-105	357.1	1.0	257.0	257.0	170	171	172	174	176	54	69	73	150	152	151	153.0	215	198	193	192	191	190	189	188	187	106	TRAF2 and NCK-interacting protein kinase
TKL	MAP3K7	M3K7_HUMAN	2EVAA	O43318	31	305	606.0	ADN:60498	Type1	Inactive	DFGin	5.7824	14.5222	BLBminus	-146.29, -178.1	42.05, 74.22	-66.23, 143.24	303.43, 3.21	-61.8, -26.77	in-in	in	8.7485	Saltbr-in	3.2082	HRD-in	-77.52, -49.32	75.21, -17.12	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 39.52	APE8-dihe-in	-17.89, 153.36	APE8-rot-in	310.55	APE67-dihe-in	-70.66, -19.63	-64.99, -10.08	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	6.0945	None	None	None	XRAY	2.0	0.258	0.231	A	307.0	263.0	12	25	13	12	[[36, 286]]	1.0	2eva	TKL_MAP3K7_HUMAN	TKL	3.7e-74	255.5	2.0	266.0	265.0	174	175	176	178	180	63	77	81	153	155	154	156.0	211	199	194	193	192	191	190	189	188	105	Mitogen-activated protein kinase kinase kinase 7
TYR	RET	RET_HUMAN	6FEKA	P07949	705	1010	1114.0	ADN:61104	Type1	Inactive	DFGin	6.7674	13.8214	BLAminus	-141.99, -171.41	59.54, 71.43	-98.37, 12.19	284.75, 93.0	-64.4, -26.64	in-none	in	7.2464	Saltbr-none	999.0	HRD-in	-77.44, -40.12	73.87, -24.59	none-in-out	SNCnio	in-out	ActLoopNT-in	2.971	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-112.75, 17.41	APE9-dihe-in	-84.07, 140.52	APE8-dihe-in	-58.1, 137.81	APE8-rot-na	331.87	APE67-dihe-in	-76.24, -0.91	-55.46, -40.98	APE12-dist-na	13.8613	APE11-dist-na	9.4418	APE10-dist-na	7.8762	APE9-dist-in	5.2942	S904F	PTR900,PTR905	PTR900,PTR905	XRAY	2.3	0.203	0.244	A	299.0	291.0	0	30	30	0	[[724, 1007]]	1.0	6fek	TYR_RET_HUMAN	TYR	8.2e-101	342.6	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	4CKJA	P07949	705	1013	1114.0	ADN:62014	Type1	Inactive	DFGin	6.799	14.267	BLAminus	-142.57, -173.53	61.96, 74.35	-98.53, 13.01	284.62, 85.56	-60.08, -30.45	in-in	in	7.039	Saltbr-in	2.7597	HRD-in	-74.89, -46.96	77.65, -13.67	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8681	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-110.85, 27.99	APE9-dihe-in	-102.95, 135.91	APE8-dihe-in	-52.01, 131.39	APE8-rot-na	319.87	APE67-dihe-in	-74.49, -6.87	-52.83, -38.38	APE12-dist-na	13.5301	APE11-dist-na	9.3176	APE10-dist-na	7.9014	APE9-dist-in	5.5284	None	PTR905	PTR905	XRAY	1.65	0.155	0.181	A	314.0	288.0	21	30	30	0	[[724, 1007]]	1.0	4ckj	TYR_RET_HUMAN	TYR	4.1e-101	343.6	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	4CKIA	P07949	705	1013	1114.0	ADN:62022	Type1	Inactive	DFGin	6.6679	14.116	BLAminus	-140.51, -172.43	59.47, 75.33	-100.17, 17.92	285.5, 88.95	-62.36, -29.86	in-in	in	7.1472	Saltbr-in	3.0778	HRD-in	-77.8, -45.32	75.52, -20.59	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9541	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-111.1, 19.65	APE9-dihe-in	-92.48, 138.17	APE8-dihe-in	-53.68, 134.11	APE8-rot-na	326.66	APE67-dihe-in	-73.39, -8.31	-50.86, -43.32	APE12-dist-na	13.6137	APE11-dist-na	9.339	APE10-dist-na	7.8706	APE9-dist-in	5.2383	M918T	PTR900,PTR905	PTR900,PTR905	XRAY	2.116	0.158	0.191	A	314.0	290.0	19	30	30	0	[[724, 1007]]	1.0	4cki	TYR_RET_HUMAN	TYR	1.3e-100	342.0	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: ADN

Total number of chains: 28

Active chains: 12

Total number of genes: 14

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	16	57.1%	5LVNA
DFGin	ABAminus	4	14.3%	8SE4B
DFGin	None	4	14.3%	4O0UA
None	None	2	7.1%	8EWYA
DFGin	BLBminus	1	3.6%	2EVAA
DFGinter	None	1	3.6%	1MUOA

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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
CMGC	LIK	M1UWB5_CYAM1	9FMPA	M1UWB5	449	809	815.0	ADN:901	Type1	Active	DFGin	6.9462	14.3707	BLAminus	-126.69, -178.42	64.87, 88.96	-109.24, 24.93	295.56, 88.61	-76.39, -6.58	in-in	in	8.4458	Saltbr-in	2.8037	HRD-in	-86.32, -43.7	69.84, -17.87	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9252	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.29, -176.2	APE9-dihe-na	69.63, 141.33	APE8-dihe-in	-59.43, 138.59	APE8-rot-in	305.86	APE67-dihe-in	-62.53, -19.36	-41.71, -55.06	APE12-dist-in	10.031	APE11-dist-in	11.5456	APE10-dist-in	6.8562	APE9-dist-in	3.1349	None	None	None	XRAY	2.69	0.206	0.268	A	376.0	361.0	0	27	27	0	[[468, 806]]	1.0	9fmp	Cyanidioschyzon merolae	CMGC_LIK_CYAM1	CMGC	9.6e-71	244.5	1.0	301.0	301.0	628	629	630	632	634	497	512	516	597	599	598	600.0	667	655	650	649	648	647	646	645	644	553	LAMMER-like dual specificity kinase
CMGC	LIK	M1UWB5_CYAM1	9FMPB	M1UWB5	451	808	815.0	ADN:902	Type1	Active	DFGin	7.2776	14.4356	BLAminus	-122.95, 178.8	58.14, 81.17	-97.0, 18.78	291.28, 87.76	-69.2, -14.87	in-in	in	8.4968	Saltbr-in	2.8612	HRD-in	-75.26, -50.47	74.26, -2.43	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0474	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.92, 176.11	APE9-dihe-na	71.64, 149.24	APE8-dihe-in	-65.55, 144.2	APE8-rot-in	302.06	APE67-dihe-in	-68.68, -10.55	-43.45, -53.0	APE12-dist-in	10.3677	APE11-dist-in	11.8031	APE10-dist-in	7.3316	APE9-dist-in	3.0572	None	TPO683	TPO683	XRAY	2.69	0.206	0.268	B	376.0	357.0	1	27	27	0	[[468, 806]]	1.0	9fmp	Cyanidioschyzon merolae	CMGC_LIK_CYAM1	CMGC	9.6e-71	244.5	1.0	301.0	301.0	628	629	630	632	634	497	512	516	597	599	598	600.0	667	655	650	649	648	647	646	645	644	553	LAMMER-like dual specificity kinase
AGC	PDPK1	PDPK1_HUMAN	5LVNA	O15530	75	359	556.0	ADN:402	Type1	Active	DFGin	6.4926	14.7837	BLAminus	-138.56, -175.41	73.41, 75.09	-105.63, 5.44	285.54, 101.95	-63.79, -19.6	in-in	in	8.4347	Saltbr-in	2.7393	HRD-in	-74.59, -52.51	78.18, -12.02	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8995	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-138.48, 161.66	APE9-dihe-na	136.02, -164.27	APE8-dihe-in	-134.21, 135.25	APE8-rot-in	295.47	APE67-dihe-in	-61.9, -23.15	-53.94, -45.84	APE12-dist-in	7.4385	APE11-dist-in	10.5331	APE10-dist-in	4.8932	APE9-dist-in	3.5664	Y288G,Q292A	SEP241	SEP241	XRAY	1.379	0.135	0.162	A	311.0	285.0	0	30	30	0	[[82, 342]]	1.0	5lvn	Homo sapiens	AGC_PDPK1_HUMAN	AGC	6.9e-84	286.9	1.0	260.0	260.0	222	223	224	226	228	111	130	134	202	204	203	205.0	264	252	247	246	245	244	243	242	241	160	3-phosphoinositide-dependent protein kinase 1
AGC	PRKCB	KPCB_HUMAN	8SE4B	P05771	30	671	671.0	ADN:701	Type1	Inactive	DFGin	5.7378	12.9707	ABAminus	-126.66, -34.17	-84.97, 112.43	-117.68, 39.4	296.69, 93.7	-74.7, -30.34	in-in	in	8.2598	Saltbr-in	2.5101	HRD-in	-88.0, -50.22	70.29, 1.81	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0733	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-157.54, 164.05	APE9-dihe-na	118.34, -179.99	APE8-dihe-in	-91.65, 129.4	APE8-rot-in	306.62	APE67-dihe-in	-69.42, -21.97	-51.1, -33.02	APE12-dist-in	8.6322	APE11-dist-in	11.7828	APE10-dist-in	6.2614	APE9-dist-in	3.7761	None	TPO500,TPO642,SEP661	TPO500,TPO642,SEP661	XRAY	2.68	0.206	0.258	B	672.0	589.0	0	28	28	0	[[342, 600]]	1.0	8se4	Homo sapiens	AGC_PRKCB_HUMAN	AGC	1.5e-97	332.1	1.0	260.0	260.0	483	484	485	487	489	371	390	394	463	465	464	466.0	523	511	506	505	504	503	502	501	500	421	Protein kinase C beta type
CAMK	AURKA	AURKA_HUMAN	4O0SA	O14965	126	391	403.0	ADN:500	Type1	Inactive	DFGin	6.0576	16.5586	BLAminus	-149.62, -178.05	57.82, 65.99	-83.76, 4.5	260.08, 87.32	-48.25, -52.63	out-out	out	10.5115	Saltbr-out	4.1117	HRD-in	-67.13, -53.86	77.45, -15.34	out-in-out	SNCoio	in-out	ActLoopNT-in	2.9445	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_iioo	APE10-dihe-na	-80.39, -35.33	APE9-dihe-na	-145.46, 176.17	APE8-dihe-in	-59.32, 141.88	APE8-rot-out	196.74	APE67-dihe-in	-51.21, -41.15	-95.86, -1.7	APE12-dist-in	12.4771	APE11-dist-in	13.4802	APE10-dist-out	10.7317	APE9-dist-out	11.0274	None	None	None	XRAY	2.5	0.238	0.25	A	282.0	265.0	1	26	25	1	[[133, 383]]	1.0	4o0s	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	7.4e-80	273.9	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	4O0WA	O14965	125	391	403.0	ADN:501	Type1	Inactive	DFGin	6.2719	16.5981	None	-99.25, -54.63	-80.04, -74.28	72.86, -1.54	279.35, 93.09	-53.76, -20.49	out-out	out	11.3192	Saltbr-out	4.9936	HRD-in	-77.36, -61.61	76.79, -35.67	out-in-out	SNCoio	in-out	ActLoopNT-in	2.7811	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_nioo	APE10-dihe-na	-96.78, 99.9	APE9-dihe-na	173.74, 169.14	APE8-dihe-in	-81.74, 143.07	APE8-rot-out	200.15	APE67-dihe-in	-47.45, -41.6	-91.34, -9.3	APE12-dist-none	999.0	APE11-dist-in	12.2482	APE10-dist-out	14.98	APE9-dist-out	11.7548	H254Y	None	None	XRAY	2.6	0.246	0.277	A	282.0	259.0	8	26	18	8	[[133, 383]]	1.0	4o0w	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	1.5e-78	269.6	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	4O0UA	O14965	126	391	403.0	ADN:501	Type1	Inactive	DFGin	6.2642	11.4304	None	-100.67, -17.12	-134.58, 129.02	-80.64, -37.58	28.72, 51.86	64.49, -126.4	out-out	out	12.2241	Saltbr-out	10.2319	HRD-out	-138.46, 154.69	-78.12, -46.1	out-in-out	SNCoio	in-out	ActLoopNT-in	3.5193	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-78.11, -47.49	APE9-dihe-na	-96.12, 155.1	APE8-dihe-in	-73.36, 140.7	APE8-rot-out	180.88	APE67-dihe-in	-47.54, -36.76	-84.86, -11.52	APE12-dist-out	18.1413	APE11-dist-out	15.8917	APE10-dist-out	13.345	APE9-dist-out	11.2984	H254R	None	None	XRAY	2.6	0.236	0.273	A	282.0	259.0	7	26	19	7	[[133, 383]]	1.0	4o0u	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	3.5e-78	268.4	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	AURKA	AURKA_HUMAN	1MUOA	O14965	128	388	403.0	ADN:1	Type1	Inactive	DFGinter	5.924	9.0061	None	-137.2, 91.65	-102.67, 104.14	-141.95, -158.0	317.38, 80.93	-72.97, -80.68	out-out	out	11.3153	Saltbr-out	7.8585	HRD-out	-71.01, -147.46	164.07, -11.44	out-none-out	SNCono	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_nooo	APE10-dihe-na	-39.4, -7.29	APE9-dihe-na	-9.41, -37.67	APE8-dihe-out	-44.74, -65.33	APE8-rot-in	311.2	APE67-dihe-in	-15.91, -41.07	-76.59, -51.98	APE12-dist-none	999.0	APE11-dist-out	18.1963	APE10-dist-out	19.8486	APE9-dist-out	11.811	None	None	None	XRAY	2.9	0.26	0.29	A	297.0	251.0	10	26	16	10	[[133, 383]]	1.0	1muo	Homo sapiens	CAMK_AURKA_HUMAN	CAMK	8.9e-80	273.7	1.0	256.0	256.0	273	274	275	277	279	162	181	185	253	255	254	256.0	311	299	294	293	292	291	290	289	288	211	Aurora kinase A
CAMK	PIM1	PIM1_HUMAN	1YI4A	P11309	33	305	313.0	ADN:306	Type1	Active	DFGin	6.0722	14.6981	BLAminus	-134.71, 164.97	59.13, 80.78	-89.82, 21.93	287.09, 72.06	-64.68, -12.33	in-in	in	8.788	Saltbr-in	2.7168	HRD-naA	-68.53, -44.87	69.57, -1.62	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9339	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-124.9, 36.65	APE9-dihe-na	-82.94, -132.28	APE8-dihe-in	-114.84, 117.13	APE8-rot-in	309.09	APE67-dihe-in	-54.56, -19.23	-51.71, -52.26	APE12-dist-in	9.605	APE11-dist-in	8.6743	APE10-dist-in	5.878	APE9-dist-in	4.1822	None	SEP261	CME161,SEP261	XRAY	2.4	0.21	0.246	A	273.0	269.0	4	26	26	0	[[38, 290]]	1.0	1yi4	Homo sapiens	CAMK_PIM1_HUMAN	CAMK	2.4e-65	226.3	1.0	256.0	256.0	185	186	187	189	191	67	89	93	164	166	165	167.0	224	211	206	205	204	203	202	201	200	121	Serine/threonine-protein kinase pim-1
CK1	CSNK1D	KC1D_HUMAN	7P7FC	P48730	4	294	415.0	ADN:307	Type1	Active	DFGin	6.2866	14.7736	BLAminus	-127.27, 170.02	72.27, 90.59	-100.52, 22.08	289.81, 85.32	-63.29, -31.3	in-in	in	7.9327	Saltbr-in	2.6298	HRD-in	-80.78, -51.31	76.2, 11.32	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9176	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-91.83, -40.42	APE9-dihe-na	-88.08, -154.15	APE8-dihe-in	-92.07, 119.61	APE8-rot-in	316.8	APE67-dihe-in	-56.43, -36.06	-56.0, -37.52	APE12-dist-in	12.6926	APE11-dist-in	12.1168	APE10-dist-in	6.3912	APE9-dist-in	4.3241	None	TPO220	TPO220	XRAY	1.96	0.19	0.221	C	296.0	285.0	6	35	29	6	[[9, 275]]	1.0	7p7f	Homo sapiens	CK1_CSNK1D_HUMAN	CK1	1.6e-122	413.9	1.0	262.0	262.0	148	149	150	152	154	38	52	56	125	127	126	128.0	195	183	178	177	176	175	174	173	172	83	Casein kinase I isoform delta
CK1	CSNK1D	KC1D_HUMAN	7P7FD	P48730	4	294	415.0	ADN:309	Type1	Active	DFGin	6.2242	14.7673	BLAminus	-126.64, 169.11	73.89, 91.36	-99.69, 21.56	289.8, 84.96	-66.02, -29.96	in-in	in	7.9518	Saltbr-in	2.6672	HRD-in	-81.57, -51.69	78.22, 8.75	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8945	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-96.24, -37.1	APE9-dihe-na	-85.95, -158.82	APE8-dihe-in	-90.13, 119.34	APE8-rot-in	319.47	APE67-dihe-in	-54.92, -36.79	-58.02, -35.64	APE12-dist-in	13.3705	APE11-dist-in	12.2221	APE10-dist-in	6.519	APE9-dist-in	4.3624	None	TPO220	TPO220	XRAY	1.96	0.19	0.221	D	296.0	285.0	6	35	29	6	[[9, 275]]	1.0	7p7f	Homo sapiens	CK1_CSNK1D_HUMAN	CK1	1.6e-122	413.9	1.0	262.0	262.0	148	149	150	152	154	38	52	56	125	127	126	128.0	195	183	178	177	176	175	174	173	172	83	Casein kinase I isoform delta
CMGC	CDK9	CDK9_HUMAN	4OGRA	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	6.9587	14.852	BLAminus	-145.48, 171.71	58.99, 73.11	-88.05, 19.07	282.19, 75.89	-59.04, -25.77	in-in	in	8.622	Saltbr-in	3.2016	HRD-in	-78.29, -48.1	62.83, 28.93	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8854	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.59, 171.14	APE9-dihe-na	70.34, 130.75	APE8-dihe-in	-51.49, 135.3	APE8-rot-in	303.62	APE67-dihe-in	-61.39, -34.94	-50.28, -42.94	APE12-dist-in	13.2451	APE11-dist-in	11.4816	APE10-dist-in	6.7057	APE9-dist-in	3.2055	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	A	332.0	315.0	8	32	32	0	[[19, 315]]	1.0	4ogr	Homo sapiens	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	CDK9	CDK9_HUMAN	4OGRE	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	7.086	14.7487	BLAminus	-145.95, 172.29	59.47, 72.14	-89.89, 19.36	283.65, 75.49	-58.97, -26.2	in-in	in	8.8012	Saltbr-in	2.9314	HRD-in	-77.91, -48.96	62.4, 28.78	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8481	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-132.99, 169.74	APE9-dihe-na	65.95, 134.0	APE8-dihe-in	-52.43, 138.08	APE8-rot-in	303.65	APE67-dihe-in	-62.11, -36.08	-50.82, -43.72	APE12-dist-in	13.2144	APE11-dist-in	11.1773	APE10-dist-in	6.7991	APE9-dist-in	3.4289	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	E	332.0	311.0	12	32	32	0	[[19, 315]]	1.0	4ogr	Homo sapiens	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	CDK9	CDK9_HUMAN	4OGRI	P50750	8	330	372.0	ADN:60401	Type1	Active	DFGin	7.0203	14.8566	BLAminus	-146.32, 171.3	58.62, 73.81	-88.0, 20.33	283.45, 75.93	-58.21, -25.18	in-in	in	8.7536	Saltbr-in	3.2525	HRD-in	-77.88, -47.68	62.44, 29.24	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9367	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-131.71, 169.37	APE9-dihe-na	67.96, 131.32	APE8-dihe-in	-52.01, 135.85	APE8-rot-in	303.33	APE67-dihe-in	-60.26, -34.97	-51.39, -42.17	APE12-dist-in	13.226	APE11-dist-in	11.0359	APE10-dist-in	6.5244	APE9-dist-in	3.1268	None	TPO186	TPO186	XRAY	3.0	0.206	0.232	I	332.0	319.0	4	32	32	0	[[19, 315]]	1.0	4ogr	Homo sapiens	CMGC_CDK9_HUMAN	CMGC	4.1e-80	275.1	1.0	301.0	301.0	166	167	168	170	172	48	66	70	146	148	147	149.0	211	198	193	192	191	190	189	188	187	104	Cyclin-dependent kinase 9
CMGC	MAPK8	MK08_HUMAN	5LW1B	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.4197	14.4478	ABAminus	-83.29, -51.84	-118.5, -177.73	-115.08, 20.0	298.98, 87.21	71.2, -159.63	out-out	out	10.4298	Saltbr-out	3.8124	HRD-in	-68.61, -60.19	64.51, 12.83	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4773	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-136.58, 144.4	APE9-dihe-na	-122.04, 105.79	APE8-dihe-out	-71.41, -33.58	APE8-rot-in	307.18	APE67-dihe-in	-61.62, -32.85	-63.18, -22.53	APE12-dist-out	20.0348	APE11-dist-out	18.2025	APE10-dist-out	13.7638	APE9-dist-out	11.7502	None	None	None	XRAY	3.2	0.177	0.212	B	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	Homo sapiens	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
CMGC	MAPK8	MK08_HUMAN	5LW1E	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.1748	14.0755	ABAminus	-82.51, -53.19	-119.45, -176.34	-115.64, 20.66	300.14, 87.37	72.63, -160.31	in-out	in	9.9432	Saltbr-out	4.611	HRD-in	-68.12, -61.52	63.83, 14.63	out-out-out	SNCooo	out-out	ActLoopNT-out	6.8826	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-137.31, 145.55	APE9-dihe-na	-120.94, 104.94	APE8-dihe-out	-71.75, -32.64	APE8-rot-in	307.04	APE67-dihe-in	-62.19, -31.77	-62.28, -22.63	APE12-dist-out	20.0912	APE11-dist-out	18.3879	APE10-dist-out	14.0865	APE9-dist-out	12.0009	None	None	None	XRAY	3.2	0.177	0.212	E	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	Homo sapiens	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
CMGC	MAPK8	MK08_HUMAN	5LW1H	P45983	8	362	427.0	ADN:60401	Type1	Inactive	DFGin	4.1303	14.3776	ABAminus	-82.43, -51.23	-118.2, -176.9	-114.7, 20.75	298.45, 87.29	72.11, -159.03	out-out	out	10.2847	Saltbr-out	3.7377	HRD-in	-69.31, -61.29	63.64, 13.39	out-out-out	SNCooo	out-out	ActLoopNT-out	6.4743	ActLoopCT-out	nonTYR	APEdihe_aaoii	APEdist_oooo	APE10-dihe-na	-136.56, 144.9	APE9-dihe-na	-119.98, 105.48	APE8-dihe-out	-71.78, -33.35	APE8-rot-in	307.69	APE67-dihe-in	-61.37, -31.81	-63.06, -22.73	APE12-dist-out	20.0957	APE11-dist-out	18.3691	APE10-dist-out	13.9653	APE9-dist-out	11.9943	None	None	None	XRAY	3.2	0.177	0.212	H	373.0	355.0	0	27	27	0	[[26, 321]]	1.0	5lw1	Homo sapiens	CMGC_MAPK8_HUMAN	CMGC	4.7e-84	288.1	1.0	301.0	301.0	168	169	170	172	174	55	73	77	148	150	149	151.0	207	195	190	189	188	187	186	185	184	109	Mitogen-activated protein kinase 8
STE	TNIK	TNIK_HUMAN	8WM0A	Q9UKE5	12	310	1360.0	ADN:401	Type1	Active	DFGin	6.6845	14.4285	BLAminus	-137.99, 169.89	73.28, 84.67	-101.61, 23.01	291.08, 82.33	-60.26, -43.27	in-in	in	9.6989	Saltbr-in	3.5656	HRD-in	-74.37, -47.31	76.19, -3.3	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9398	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-157.58, 162.14	APE9-dihe-na	103.93, -165.27	APE8-dihe-in	-107.19, 120.81	APE8-rot-in	307.37	APE67-dihe-in	-60.27, -41.62	-35.76, -53.6	APE12-dist-in	8.7068	APE11-dist-in	11.7674	APE10-dist-in	6.1205	APE9-dist-in	3.4202	None	TPO181,TPO187	TPO181,TPO187	XRAY	2.8	0.233	0.285	A	306.0	299.0	0	28	28	0	[[25, 289]]	1.0	8wm0	Homo sapiens	STE_TNIK_HUMAN	STE	3e-105	357.1	1.0	257.0	257.0	170	171	172	174	176	54	69	73	150	152	151	153.0	215	198	193	192	191	190	189	188	187	106	TRAF2 and NCK-interacting protein kinase
TKL	MAP3K7	M3K7_HUMAN	2EVAA	O43318	31	305	606.0	ADN:60498	Type1	Inactive	DFGin	5.7824	14.5222	BLBminus	-146.29, -178.1	42.05, 74.22	-66.23, 143.24	303.43, 3.21	-61.8, -26.77	in-in	in	8.7485	Saltbr-in	3.2082	HRD-in	-77.52, -49.32	75.21, -17.12	in-none-out	SNCino	none-out	ActLoopNT-none	999.0	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_nnno	APE10-dihe-na	999.0, 999.0	APE9-dihe-na	999.0, 39.52	APE8-dihe-in	-17.89, 153.36	APE8-rot-in	310.55	APE67-dihe-in	-70.66, -19.63	-64.99, -10.08	APE12-dist-none	999.0	APE11-dist-none	999.0	APE10-dist-none	999.0	APE9-dist-out	6.0945	None	None	None	XRAY	2.0	0.258	0.231	A	307.0	263.0	12	25	13	12	[[36, 286]]	1.0	2eva	Homo sapiens	TKL_MAP3K7_HUMAN	TKL	3.7e-74	255.5	2.0	266.0	265.0	174	175	176	178	180	63	77	81	153	155	154	156.0	211	199	194	193	192	191	190	189	188	105	Mitogen-activated protein kinase kinase kinase 7
TYR	RET	RET_HUMAN	6FEKA	P07949	705	1010	1114.0	ADN:61104	Type1	Inactive	DFGin	6.7674	13.8214	BLAminus	-141.99, -171.41	59.54, 71.43	-98.37, 12.19	284.75, 93.0	-64.4, -26.64	in-none	in	7.2464	Saltbr-none	999.0	HRD-in	-77.44, -40.12	73.87, -24.59	none-in-out	SNCnio	in-out	ActLoopNT-in	2.971	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-112.75, 17.41	APE9-dihe-in	-84.07, 140.52	APE8-dihe-in	-58.1, 137.81	APE8-rot-na	331.87	APE67-dihe-in	-76.24, -0.91	-55.46, -40.98	APE12-dist-na	13.8613	APE11-dist-na	9.4418	APE10-dist-na	7.8762	APE9-dist-in	5.2942	S904F	PTR900,PTR905	PTR900,PTR905	XRAY	2.3	0.203	0.244	A	299.0	291.0	0	30	30	0	[[724, 1007]]	1.0	6fek	Homo sapiens	TYR_RET_HUMAN	TYR	8.2e-101	342.6	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	4CKJA	P07949	705	1013	1114.0	ADN:62014	Type1	Inactive	DFGin	6.799	14.267	BLAminus	-142.57, -173.53	61.96, 74.35	-98.53, 13.01	284.62, 85.56	-60.08, -30.45	in-in	in	7.039	Saltbr-in	2.7597	HRD-in	-74.89, -46.96	77.65, -13.67	in-in-out	SNCiio	in-out	ActLoopNT-in	2.8681	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-110.85, 27.99	APE9-dihe-in	-102.95, 135.91	APE8-dihe-in	-52.01, 131.39	APE8-rot-na	319.87	APE67-dihe-in	-74.49, -6.87	-52.83, -38.38	APE12-dist-na	13.5301	APE11-dist-na	9.3176	APE10-dist-na	7.9014	APE9-dist-in	5.5284	None	PTR905	PTR905	XRAY	1.65	0.155	0.181	A	314.0	288.0	21	30	30	0	[[724, 1007]]	1.0	4ckj	Homo sapiens	TYR_RET_HUMAN	TYR	4.1e-101	343.6	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
TYR	RET	RET_HUMAN	4CKIA	P07949	705	1013	1114.0	ADN:62022	Type1	Inactive	DFGin	6.6679	14.116	BLAminus	-140.51, -172.43	59.47, 75.33	-100.17, 17.92	285.5, 88.95	-62.36, -29.86	in-in	in	7.1472	Saltbr-in	3.0778	HRD-in	-77.8, -45.32	75.52, -20.59	in-in-out	SNCiio	in-out	ActLoopNT-in	2.9541	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-111.1, 19.65	APE9-dihe-in	-92.48, 138.17	APE8-dihe-in	-53.68, 134.11	APE8-rot-na	326.66	APE67-dihe-in	-73.39, -8.31	-50.86, -43.32	APE12-dist-na	13.6137	APE11-dist-na	9.339	APE10-dist-na	7.8706	APE9-dist-in	5.2383	M918T	PTR900,PTR905	PTR900,PTR905	XRAY	2.116	0.158	0.191	A	314.0	290.0	19	30	30	0	[[724, 1007]]	1.0	4cki	Homo sapiens	TYR_RET_HUMAN	TYR	1.3e-100	342.0	1.0	261.0	261.0	891	892	893	895	897	758	775	779	871	873	872	874.0	933	921	916	915	914	913	912	911	910	805	Proto-oncogene tyrosine-protein kinase receptor Ret
AGC	PRKACA	KAPCA_MOUSE	1FMOE	P05132	14	351	351.0	ADN:60351	Type1	Active	DFGin	6.6779	14.2824	BLAminus	-114.95, 166.87	67.95, 101.15	-111.54, 7.58	268.05, 65.13	-43.18, -17.52	in-in	in	8.5604	Saltbr-in	2.9824	HRD-in	-73.08, -60.95	74.44, -3.64	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8596	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-154.53, 167.98	APE9-dihe-na	127.76, -157.13	APE8-dihe-in	-115.17, 123.5	APE8-rot-in	303.04	APE67-dihe-in	-62.85, -32.38	-37.72, -49.63	APE12-dist-in	7.9343	APE11-dist-in	11.2764	APE10-dist-in	5.9475	APE9-dist-in	3.7123	None	TPO198,SEP339	TPO198,SEP339	XRAY	2.2	0.182	999.0	E	350.0	338.0	0	25	25	0	[[44, 298]]	1.0	1fmo	Mus musculus	AGC_PRKACA_MOUSE	AGC	1.5e-94	322.1	1.0	260.0	260.0	184	185	186	188	190	73	92	96	164	166	165	167.0	221	209	204	203	202	201	200	199	198	122	cAMP-dependent protein kinase catalytic subunit alpha
TYR	JAK1-12	JAK1_MOUSE	7T6FA	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	DFGin	6.8989	13.8131	None	-86.13, -125.98	-78.37, 170.67	-132.74, 42.36	300.4, 95.7	-63.52, -44.16	in-out	in	8.2656	Saltbr-out	5.3454	HRD-in	-74.55, -24.53	68.9, -7.15	out-in-out	SNCoio	in-out	ActLoopNT-in	3.3664	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-74.97, -30.61	APE9-dihe-in	-69.86, 145.09	APE8-dihe-in	-65.5, 154.45	APE8-rot-na	337.81	APE67-dihe-in	-111.81, 34.03	-69.03, -47.03	APE12-dist-na	13.0701	APE11-dist-na	13.989	APE10-dist-na	8.6737	APE9-dist-in	6.36	None	None	None	EM	3.6	999.0	999.0	A	1173.0	1043.0	23	31	31	0	[[582, 846], [874, 1150]]	2.0	7t6f	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	7T6FB	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	DFGin	6.8984	13.8132	None	-86.09, -125.95	-78.45, 170.72	-132.73, 42.29	300.45, 95.61	-63.42, -44.2	in-out	in	8.2667	Saltbr-out	5.3471	HRD-in	-74.65, -24.42	68.9, -7.11	out-in-out	SNCoio	in-out	ActLoopNT-in	3.3661	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-74.91, -30.65	APE9-dihe-in	-69.79, 145.09	APE8-dihe-in	-65.5, 154.47	APE8-rot-na	337.81	APE67-dihe-in	-111.9, 34.05	-69.03, -46.98	APE12-dist-na	13.0694	APE11-dist-na	13.9887	APE10-dist-na	8.6729	APE9-dist-in	6.3604	None	None	None	EM	3.6	999.0	999.0	B	1173.0	1043.0	23	31	31	0	[[582, 846], [874, 1150]]	2.0	7t6f	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	8EWYA	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	None	999.0	999.0	None	-138.68, -158.74	57.84, 53.41	-86.5, 17.2	999.0, 999.0	-66.33, -21.83	in-none	in	8.0785	Saltbr-none	999.0	HRD-in	-63.86, -38.24	65.99, -1.42	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8414	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-64.88, 139.03	APE9-dihe-in	-137.63, 148.1	APE8-dihe-in	-70.82, 80.23	APE8-rot-na	999.0	APE67-dihe-in	-71.32, -12.38	-60.07, -30.97	APE12-dist-na	13.0021	APE11-dist-na	7.9281	APE10-dist-na	11.009	APE9-dist-in	6.3419	V657F	None	None	EM	5.5	999.0	999.0	A	1173.0	1047.0	19	31	31	0	[[582, 846], [874, 1150]]	2.0	8ewy	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	8EWYB	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	None	999.0	999.0	None	-138.65, -158.76	57.86, 53.37	-86.37, 17.05	999.0, 999.0	-66.24, -21.9	in-none	in	8.0788	Saltbr-none	999.0	HRD-in	-63.87, -38.25	66.06, -1.5	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8419	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-64.87, 139.06	APE9-dihe-in	-137.62, 148.16	APE8-dihe-in	-70.91, 80.26	APE8-rot-na	999.0	APE67-dihe-in	-71.25, -12.38	-60.08, -31.01	APE12-dist-na	13.0021	APE11-dist-na	7.9285	APE10-dist-na	11.0086	APE9-dist-in	6.3412	V657F	None	None	EM	5.5	999.0	999.0	B	1173.0	1047.0	19	31	31	0	[[582, 846], [874, 1150]]	2.0	8ewy	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
CMGC	SKY1	SKY1_YEAST	1Q97B	Q03656	145	737	742.0	ADN:60486	Type1	Active	DFGin	5.8147	12.9524	BLAminus	-104.57, 173.13	44.98, 86.84	-90.28, 23.6	296.08, 17.77	-63.17, -24.44	in-in	in	8.8461	Saltbr-in	3.2662	HRD-in	-73.58, -45.0	72.28, -6.95	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9114	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-113.01, 170.7	APE9-dihe-na	67.39, 158.89	APE8-dihe-in	-97.9, 143.15	APE8-rot-in	292.96	APE67-dihe-in	-50.21, -30.65	-20.49, -80.35	APE12-dist-in	12.5638	APE11-dist-in	10.5201	APE10-dist-in	7.6048	APE9-dist-in	3.0251	None	None	None	XRAY	2.3	0.215	0.264	B	373.0	361.0	0	25	25	0	[[158, 706]]	1.0	1q97	Saccharomyces cerevisiae	CMGC_SKY1_YEAST	CMGC	8.8e-100	339.7	1.0	301.0	301.0	549	550	551	553	555	187	202	206	291	293	292	294.0	586	574	569	568	567	566	565	564	563	247	Serine/threonine-protein kinase SKY1

Ligand: ADN

Total number of chains: 8

Active chains: 4

Total number of genes: 4

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	4	50.0%	1FMOE
DFGin	None	2	25.0%	7T6FA
None	None	2	25.0%	8EWYA

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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	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
CMGC	LIK	M1UWB5_CYAM1	9FMPA	M1UWB5	449	809	815.0	ADN:901	Type1	Active	DFGin	6.9462	14.3707	BLAminus	-126.69, -178.42	64.87, 88.96	-109.24, 24.93	295.56, 88.61	-76.39, -6.58	in-in	in	8.4458	Saltbr-in	2.8037	HRD-in	-86.32, -43.7	69.84, -17.87	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9252	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.29, -176.2	APE9-dihe-na	69.63, 141.33	APE8-dihe-in	-59.43, 138.59	APE8-rot-in	305.86	APE67-dihe-in	-62.53, -19.36	-41.71, -55.06	APE12-dist-in	10.031	APE11-dist-in	11.5456	APE10-dist-in	6.8562	APE9-dist-in	3.1349	None	None	None	XRAY	2.69	0.206	0.268	A	376.0	361.0	0	27	27	[[468, 806]]	1.0	9fmp	Cyanidioschyzon merolae	CMGC_LIK_CYAM1	CMGC	9.6e-71	244.5	1.0	301.0	301.0	628	629	630	632	634	497	512	516	597	599	598	600.0	667	655	650	649	648	647	646	645	644	553	LAMMER-like dual specificity kinase
CMGC	LIK	M1UWB5_CYAM1	9FMPB	M1UWB5	451	808	815.0	ADN:902	Type1	Active	DFGin	7.2776	14.4356	BLAminus	-122.95, 178.8	58.14, 81.17	-97.0, 18.78	291.28, 87.76	-69.2, -14.87	in-in	in	8.4968	Saltbr-in	2.8612	HRD-in	-75.26, -50.47	74.26, -2.43	in-in-in	SNCiii	in-in	ActLoopNT-in	3.0474	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-134.92, 176.11	APE9-dihe-na	71.64, 149.24	APE8-dihe-in	-65.55, 144.2	APE8-rot-in	302.06	APE67-dihe-in	-68.68, -10.55	-43.45, -53.0	APE12-dist-in	10.3677	APE11-dist-in	11.8031	APE10-dist-in	7.3316	APE9-dist-in	3.0572	None	TPO683	TPO683	XRAY	2.69	0.206	0.268	B	376.0	357.0	1	27	27	[[468, 806]]	1.0	9fmp	Cyanidioschyzon merolae	CMGC_LIK_CYAM1	CMGC	9.6e-71	244.5	1.0	301.0	301.0	628	629	630	632	634	497	512	516	597	599	598	600.0	667	655	650	649	648	647	646	645	644	553	LAMMER-like dual specificity kinase
AGC	PRKACA	KAPCA_MOUSE	1FMOE	P05132	14	351	351.0	ADN:60351	Type1	Active	DFGin	6.6779	14.2824	BLAminus	-114.95, 166.87	67.95, 101.15	-111.54, 7.58	268.05, 65.13	-43.18, -17.52	in-in	in	8.5604	Saltbr-in	2.9824	HRD-in	-73.08, -60.95	74.44, -3.64	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8596	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-154.53, 167.98	APE9-dihe-na	127.76, -157.13	APE8-dihe-in	-115.17, 123.5	APE8-rot-in	303.04	APE67-dihe-in	-62.85, -32.38	-37.72, -49.63	APE12-dist-in	7.9343	APE11-dist-in	11.2764	APE10-dist-in	5.9475	APE9-dist-in	3.7123	None	TPO198,SEP339	TPO198,SEP339	XRAY	2.2	0.182	999.0	E	350.0	338.0	0	25	25	[[44, 298]]	1.0	1fmo	Mus musculus	AGC_PRKACA_MOUSE	AGC	1.5e-94	322.1	1.0	260.0	260.0	184	185	186	188	190	73	92	96	164	166	165	167.0	221	209	204	203	202	201	200	199	198	122	cAMP-dependent protein kinase catalytic subunit alpha
TYR	JAK1-12	JAK1_MOUSE	7T6FA	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	DFGin	6.8989	13.8131	None	-86.13, -125.98	-78.37, 170.67	-132.74, 42.36	300.4, 95.7	-63.52, -44.16	in-out	in	8.2656	Saltbr-out	5.3454	HRD-in	-74.55, -24.53	68.9, -7.15	out-in-out	SNCoio	in-out	ActLoopNT-in	3.3664	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-74.97, -30.61	APE9-dihe-in	-69.86, 145.09	APE8-dihe-in	-65.5, 154.45	APE8-rot-na	337.81	APE67-dihe-in	-111.81, 34.03	-69.03, -47.03	APE12-dist-na	13.0701	APE11-dist-na	13.989	APE10-dist-na	8.6737	APE9-dist-in	6.36	None	None	None	EM	3.6	999.0	999.0	A	1173.0	1043.0	23	31	31	[[582, 846], [874, 1150]]	2.0	7t6f	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	7T6FB	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	DFGin	6.8984	13.8132	None	-86.09, -125.95	-78.45, 170.72	-132.73, 42.29	300.45, 95.61	-63.42, -44.2	in-out	in	8.2667	Saltbr-out	5.3471	HRD-in	-74.65, -24.42	68.9, -7.11	out-in-out	SNCoio	in-out	ActLoopNT-in	3.3661	ActLoopCT-out	TYR	APEdihe_oiiai	APEdist_aaai	APE10-dihe-out	-74.91, -30.65	APE9-dihe-in	-69.79, 145.09	APE8-dihe-in	-65.5, 154.47	APE8-rot-na	337.81	APE67-dihe-in	-111.9, 34.05	-69.03, -46.98	APE12-dist-na	13.0694	APE11-dist-na	13.9887	APE10-dist-na	8.6729	APE9-dist-in	6.3604	None	None	None	EM	3.6	999.0	999.0	B	1173.0	1043.0	23	31	31	[[582, 846], [874, 1150]]	2.0	7t6f	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	8EWYA	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	None	999.0	999.0	None	-138.68, -158.74	57.84, 53.41	-86.5, 17.2	999.0, 999.0	-66.33, -21.83	in-none	in	8.0785	Saltbr-none	999.0	HRD-in	-63.86, -38.24	65.99, -1.42	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8414	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-64.88, 139.03	APE9-dihe-in	-137.63, 148.1	APE8-dihe-in	-70.82, 80.23	APE8-rot-na	999.0	APE67-dihe-in	-71.32, -12.38	-60.07, -30.97	APE12-dist-na	13.0021	APE11-dist-na	7.9281	APE10-dist-na	11.009	APE9-dist-in	6.3419	V657F	None	None	EM	5.5	999.0	999.0	A	1173.0	1047.0	19	31	31	[[582, 846], [874, 1150]]	2.0	8ewy	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
TYR	JAK1-12	JAK1_MOUSE	8EWYB	P52332	32	1153	1153.0	ADN:61201,ADP:61202	Allosteric,ATPlike	Inactive	None	999.0	999.0	None	-138.65, -158.76	57.86, 53.37	-86.37, 17.05	999.0, 999.0	-66.24, -21.9	in-none	in	8.0788	Saltbr-none	999.0	HRD-in	-63.87, -38.25	66.06, -1.5	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8419	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-64.87, 139.06	APE9-dihe-in	-137.62, 148.16	APE8-dihe-in	-70.91, 80.26	APE8-rot-na	999.0	APE67-dihe-in	-71.25, -12.38	-60.08, -31.01	APE12-dist-na	13.0021	APE11-dist-na	7.9285	APE10-dist-na	11.0086	APE9-dist-in	6.3412	V657F	None	None	EM	5.5	999.0	999.0	B	1173.0	1047.0	19	31	31	[[582, 846], [874, 1150]]	2.0	8ewy	Mus musculus	TYR_JAK1-12_MOUSE	TYR	7.5e-59	499.6	3.0	260.0	516.0	1019	1020	1021	1023	1025	907	924	928	999	1001	1000	1002.0	1062	1050	1045	1044	1043	1042	1041	1040	1039	956	Tyrosine-protein kinase JAK1
CMGC	SKY1	SKY1_YEAST	1Q97B	Q03656	145	737	742.0	ADN:60486	Type1	Active	DFGin	5.8147	12.9524	BLAminus	-104.57, 173.13	44.98, 86.84	-90.28, 23.6	296.08, 17.77	-63.17, -24.44	in-in	in	8.8461	Saltbr-in	3.2662	HRD-in	-73.58, -45.0	72.28, -6.95	in-in-in	SNCiii	in-in	ActLoopNT-in	2.9114	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-113.01, 170.7	APE9-dihe-na	67.39, 158.89	APE8-dihe-in	-97.9, 143.15	APE8-rot-in	292.96	APE67-dihe-in	-50.21, -30.65	-20.49, -80.35	APE12-dist-in	12.5638	APE11-dist-in	10.5201	APE10-dist-in	7.6048	APE9-dist-in	3.0251	None	None	None	XRAY	2.3	0.215	0.264	B	373.0	361.0	0	25	25	[[158, 706]]	1.0	1q97	Saccharomyces cerevisiae	CMGC_SKY1_YEAST	CMGC	8.8e-100	339.7	1.0	301.0	301.0	549	550	551	553	555	187	202	206	291	293	292	294.0	586	574	569	568	567	566	565	564	563	247	Serine/threonine-protein kinase SKY1

Ligand: ADN

Total number of chains: 20

Active chains: 8

Total number of genes: 10

All chains

Representatives

All chains - renumbered by

Ligand: ADN

Total number of chains: 28

Active chains: 12

Total number of genes: 14

All chains

Representatives

All chains - renumbered by

Ligand: ADN

Total number of chains: 8

Active chains: 4

Total number of genes: 4

All chains

Representatives

All chains - renumbered by