KinCore

Ligand: B49 (Sunitinib)

Total number of chains: 21

Active chains: 3

Total number of genes: 9

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	8	38.1%	4QMZA
DFGout	BBAminus	5	23.8%	8S14A
DFGin	ABAminus	2	9.5%	6NFYB
DFGin	None	2	9.5%	6NG0A
DFGout	None	2	9.5%	3G0EA
DFGin	BLAplus	1	4.8%	3MIYB
DFGin	BLBminus	1	4.8%	3TI1A

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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
CAMK	PHKG2	PHKG2_HUMAN	2Y7JA	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.6653	14.8155	BLAminus	-136.35, -170.16	54.75, 70.88	-92.39, 20.81	284.08, 76.85	-61.83, -24.19	out-out	out	10.2503	Saltbr-out	4.4645	HRD-in	-62.79, -53.07	70.61, 18.6	out-in-in	SNCoii	in-in	ActLoopNT-in	3.0061	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-159.94, 142.23	APE9-dihe-na	122.3, 163.86	APE8-dihe-in	-75.83, 126.85	APE8-rot-in	314.78	APE67-dihe-in	-61.19, -25.01	-48.83, -43.94	APE12-dist-in	8.6987	APE11-dist-in	11.3103	APE10-dist-in	5.7548	APE9-dist-in	3.515	None	None	None	XRAY	2.5	0.184	0.216	A	365.0	284.0	0	27	27	0	[[24, 291]]	1.0	2y7j	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JB	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.5643	15.2008	BLAminus	-134.53, -168.98	53.87, 69.09	-88.65, 24.72	282.53, 76.39	-61.6, -27.15	out-out	out	10.4289	Saltbr-out	4.8033	HRD-in	-65.97, -49.45	65.68, 10.08	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9996	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-154.71, 165.45	APE9-dihe-na	107.35, 176.19	APE8-dihe-in	-84.88, 130.97	APE8-rot-in	310.21	APE67-dihe-in	-62.86, -22.06	-48.14, -44.88	APE12-dist-in	8.4147	APE11-dist-in	11.1129	APE10-dist-in	5.4831	APE9-dist-in	3.3537	None	None	None	XRAY	2.5	0.184	0.216	B	365.0	281.0	3	27	27	0	[[24, 291]]	1.0	2y7j	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JC	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.7707	14.9963	BLAminus	-128.01, -166.61	49.58, 75.18	-93.06, 22.57	284.6, 75.8	-62.72, -24.5	out-out	out	10.5539	Saltbr-out	4.7934	HRD-in	-67.86, -49.01	71.89, 11.92	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9982	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-153.59, 158.94	APE9-dihe-na	110.48, 179.0	APE8-dihe-in	-88.44, 129.7	APE8-rot-in	310.49	APE67-dihe-in	-63.94, -22.15	-49.61, -43.54	APE12-dist-in	8.4557	APE11-dist-in	11.0472	APE10-dist-in	5.4302	APE9-dist-in	3.5559	None	None	None	XRAY	2.5	0.184	0.216	C	365.0	284.0	0	27	27	0	[[24, 291]]	1.0	2y7j	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JD	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.6405	15.2236	BLAminus	-131.7, -173.29	54.45, 74.24	-92.53, 24.77	283.53, 75.93	-62.64, -24.73	out-out	out	10.594	Saltbr-out	4.893	HRD-in	-65.75, -51.36	68.23, 9.72	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9937	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-155.1, 164.39	APE9-dihe-na	106.84, 174.06	APE8-dihe-in	-83.97, 130.15	APE8-rot-in	310.84	APE67-dihe-in	-63.49, -21.75	-48.4, -43.95	APE12-dist-in	8.517	APE11-dist-in	11.1966	APE10-dist-in	5.5267	APE9-dist-in	3.3287	None	None	None	XRAY	2.5	0.184	0.216	D	365.0	281.0	3	27	27	0	[[24, 291]]	1.0	2y7j	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CMGC	CDK2	CDK2_HUMAN	3TI1A	P24941	1	298	298.0	B49:299	Type1	Inactive	DFGin	7.4895	14.9479	BLBminus	-138.54, 165.85	55.25, 50.84	-54.7, 138.08	282.79, 63.1	-95.42, 15.79	out-out	out	16.0388	Saltbr-out	14.6102	HRD-in	-73.91, -54.49	74.09, -22.19	out-out-out	SNCooo	out-out	ActLoopNT-out	7.753	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-103.63, 110.78	APE9-dihe-na	-67.36, 128.32	APE8-dihe-in	-75.16, 126.28	APE8-rot-in	271.07	APE67-dihe-in	-58.11, -32.93	-95.87, -2.85	APE12-dist-out	22.3024	APE11-dist-out	17.6619	APE10-dist-out	19.6118	APE9-dist-out	10.9279	None	None	None	XRAY	1.99	0.205	0.262	A	298.0	294.0	4	28	28	0	[[4, 286]]	1.0	3ti1	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1.0	301.0	301.0	144	145	146	148	150	33	51	55	124	126	125	127.0	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2
STE	MAP4K1	M4K1_HUMAN	6NFYA	Q92918	10	292	833.0	B49:69000	Type1	Inactive	DFGin	5.5935	14.9139	ABAminus	-77.99, -10.08	-165.37, 178.6	-100.73, 5.46	299.9, 89.52	78.01, -158.47	out-out	out	11.4151	Saltbr-out	8.8062	HRD-in	-67.76, -54.16	80.53, -5.66	out-out-out	SNCooo	out-out	ActLoopNT-out	5.9718	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-122.43, 132.12	APE9-dihe-na	-84.67, -151.78	APE8-dihe-in	-82.18, 120.44	APE8-rot-in	317.02	APE67-dihe-in	-65.57, -25.36	-45.65, -39.38	APE12-dist-in	12.6433	APE11-dist-in	8.4543	APE10-dist-out	12.9014	APE9-dist-in	3.4341	None	None	None	XRAY	2.17	0.194	0.219	A	300.0	280.0	3	28	28	0	[[17, 274]]	1.0	6nfy	STE_MAP4K1_HUMAN	STE	1.6e-92	315.4	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFYB	Q92918	10	292	833.0	B49:69000	Type1	Inactive	DFGin	5.4284	14.4391	ABAminus	-77.59, -12.73	-160.52, 173.22	-94.5, 5.68	304.19, 88.51	70.4, -157.51	out-out	out	11.1512	Saltbr-out	8.0388	HRD-in	-66.24, -54.13	78.28, -9.22	out-out-out	SNCooo	out-out	ActLoopNT-out	6.0056	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioi	APE10-dihe-na	-128.67, 114.08	APE9-dihe-na	-99.5, -109.92	APE8-dihe-in	-118.15, 107.47	APE8-rot-in	308.81	APE67-dihe-in	-64.32, -24.35	-45.36, -36.49	APE12-dist-out	15.0667	APE11-dist-in	10.5996	APE10-dist-out	15.1288	APE9-dist-in	4.2892	None	None	None	XRAY	2.17	0.194	0.219	B	300.0	283.0	0	28	28	0	[[17, 274]]	1.0	6nfy	STE_MAP4K1_HUMAN	STE	1.6e-92	315.4	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFZA	Q92918	7	292	833.0	B49:401	Type1	None	DFGin	6.2841	14.0199	BLAminus	-132.74, -179.97	58.53, 80.12	-96.32, 31.7	293.92, 71.67	-62.29, -28.15	in-none	in	8.6336	Saltbr-none	999.0	HRD-in	-77.39, -48.16	72.34, -9.45	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8383	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.28, 161.74	APE9-dihe-na	145.04, -157.57	APE8-dihe-in	-127.09, 102.67	APE8-rot-in	298.6	APE67-dihe-in	-54.23, -29.76	-34.34, -51.63	APE12-dist-in	8.2408	APE11-dist-in	11.6256	APE10-dist-in	6.1775	APE9-dist-in	3.9164	None	TPO165,SEP171	TPO165,SEP171	XRAY	2.966	0.209	0.251	A	309.0	270.0	16	28	28	0	[[17, 274]]	1.0	6nfz	STE_MAP4K1_HUMAN	STE	1.7e-92	315.3	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFZB	Q92918	5	292	833.0	B49:9001	Type1	Active	DFGin	6.5693	14.1248	BLAminus	-143.42, 177.82	59.84, 65.59	-92.66, 20.58	294.3, 90.38	-59.43, -39.56	in-in	in	8.6509	Saltbr-in	3.5599	HRD-in	-78.49, -47.72	65.71, 8.89	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8584	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.78, 156.37	APE9-dihe-na	142.37, -174.26	APE8-dihe-in	-102.95, 108.5	APE8-rot-in	309.31	APE67-dihe-in	-65.17, -28.5	-37.53, -43.95	APE12-dist-in	8.1845	APE11-dist-in	11.4365	APE10-dist-in	5.9754	APE9-dist-in	3.8536	None	TPO165,SEP171	TPO165,SEP171	XRAY	2.966	0.209	0.251	B	309.0	277.0	11	28	25	3	[[17, 274]]	1.0	6nfz	STE_MAP4K1_HUMAN	STE	1.7e-92	315.3	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NG0A	Q92918	6	302	833.0	B49:9000	Type1	Inactive	DFGin	5.141	15.0649	None	-69.74, 172.09	-58.45, 155.47	-142.74, 154.55	54.54, 93.56	67.99, -7.56	out-out	out	12.8583	Saltbr-out	10.8147	HRD-in	-63.9, -48.24	77.74, -8.02	out-out-out	SNCooo	out-out	ActLoopNT-out	10.601	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-51.88, -33.41	APE9-dihe-na	-72.94, -17.4	APE8-dihe-in	-134.99, 76.22	APE8-rot-in	306.88	APE67-dihe-in	-54.91, -28.64	-97.55, -2.9	APE12-dist-out	23.0746	APE11-dist-out	25.0122	APE10-dist-out	24.5939	APE9-dist-out	28.7355	T165E,S171E	None	None	XRAY	2.05	0.202	0.229	A	309.0	289.0	8	28	23	5	[[17, 274]]	1.0	6ng0	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NG0B	Q92918	7	293	833.0	B49:9000	Type1	Inactive	DFGout	15.0222	9.0265	BBAminus	-132.93, 173.24	-130.35, 91.11	-75.14, -30.73	272.68, 88.14	-91.62, -130.52	out-out	out	11.213	Saltbr-out	7.483	HRD-in	-72.09, -46.07	68.34, -7.21	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1101	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-73.37, 118.48	APE9-dihe-na	-63.42, 177.66	APE8-dihe-in	-42.4, 131.86	APE8-rot-out	56.61	APE67-dihe-in	-50.2, -28.57	-93.94, -13.91	APE12-dist-out	19.9762	APE11-dist-out	20.334	APE10-dist-out	21.461	APE9-dist-out	26.7294	T165E,S171E	None	None	XRAY	2.05	0.202	0.229	B	309.0	279.0	8	28	28	0	[[17, 274]]	1.0	6ng0	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	PAK6	PAK6_HUMAN	4KS8A	Q9NQU5	385	671	681.0	B49:701	Type1	Active	DFGin	6.3448	13.5239	BLAminus	-140.01, -170.23	63.35, 61.58	-89.05, 6.98	299.26, 108.58	-57.68, -33.0	in-in	in	6.9584	Saltbr-in	2.9133	HRD-in	-67.27, -52.49	75.45, -5.04	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8012	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.89, 129.35	APE9-dihe-na	153.97, -169.18	APE8-dihe-in	-106.27, 121.21	APE8-rot-in	308.12	APE67-dihe-in	-63.35, -19.7	-31.2, -62.7	APE12-dist-in	9.8713	APE11-dist-in	11.5056	APE10-dist-in	5.7538	APE9-dist-in	3.36	None	SEP560	SEP560	XRAY	1.95	0.22	0.261	A	292.0	287.0	0	28	28	0	[[407, 658]]	1.0	4ks8	STE_PAK6_HUMAN	STE	2.4e-91	311.6	4.0	257.0	254.0	543	544	545	547	549	436	452	456	523	525	524	526.0	583	571	566	565	564	563	562	561	560	482	Serine/threonine-protein kinase PAK 6
STE	STK24	STK24_HUMAN	4QMZA	Q9Y6E0	25	311	443.0	B49:60401	Type1	Active	DFGin	6.6747	14.6574	BLAminus	-133.12, 166.14	69.3, 93.82	-111.91, 23.7	289.08, 84.55	-59.76, -25.99	in-in	in	8.8952	Saltbr-in	2.7504	HRD-in	-68.41, -48.56	68.12, 3.56	in-in-in	SNCiii	in-in	ActLoopNT-in	2.829	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-141.76, 163.1	APE9-dihe-na	121.05, -160.77	APE8-dihe-in	-122.53, 120.41	APE8-rot-in	306.26	APE67-dihe-in	-58.31, -30.91	-44.32, -46.7	APE12-dist-in	8.0567	APE11-dist-in	10.8039	APE10-dist-in	5.0561	APE9-dist-in	3.2478	None	TPO190	TPO190	XRAY	1.88	0.168	0.224	A	310.0	287.0	0	28	28	0	[[36, 286]]	1.0	4qmz	STE_STK24_HUMAN	STE	3.9e-100	340.4	1.0	257.0	257.0	173	174	175	177	179	65	82	86	153	155	154	156.0	213	201	196	195	194	193	192	191	190	112	Serine/threonine-protein kinase 24
TYR	ITK	ITK_HUMAN	3MIYB	Q08881	357	619	620.0	B49:60002	Type1	Inactive	DFGin	4.594	14.3076	BLAplus	-119.14, 168.78	58.23, 44.95	-107.27, 10.53	54.14, 85.29	-87.92, 999.0	in-out	in	9.7941	Saltbr-out	4.8729	HRD-in	-72.48, -51.01	80.11, -14.33	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	TYR	APEdihe_nnnai	APEdist_aaan	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 999.0	APE8-dihe-none	999.0, 102.33	APE8-rot-na	353.07	APE67-dihe-in	-63.42, -24.1	-64.07, -27.41	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-none	999.0	C477S,E614A,E617A	None	None	XRAY	1.67	0.208	0.234	B	266.0	238.0	25	29	11	18	[[363, 614]]	1.0	3miy	TYR_ITK_HUMAN	TYR	5e-93	317.1	1.0	260.0	260.0	499	500	501	503	505	391	406	410	479	481	480	482.0	540	528	523	522	521	520	519	518	517	436	Tyrosine-protein kinase ITK/TSK
TYR	ITK	ITK_HUMAN	3MIYA	Q08881	357	619	620.0	B49:60001	Type1	Inactive	DFGin	4.4986	14.3272	None	-118.72, 169.24	51.5, 47.57	-103.74, 999.0	53.54, 86.2	999.0, 999.0	in-out	in	9.8276	Saltbr-out	5.0446	HRD-in	-71.62, -53.3	80.88, -14.93	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	TYR	APEdihe_nnnai	APEdist_aaan	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 999.0	APE8-dihe-none	999.0, 84.04	APE8-rot-na	334.29	APE67-dihe-in	-65.24, -21.92	-59.14, -28.73	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-none	999.0	C477S,E614A,E617A	None	None	XRAY	1.67	0.208	0.234	A	266.0	237.0	26	29	10	19	[[363, 614]]	1.0	3miy	TYR_ITK_HUMAN	TYR	5e-93	317.1	1.0	260.0	260.0	499	500	501	503	505	391	406	410	479	481	480	482.0	540	528	523	522	521	520	519	518	517	436	Tyrosine-protein kinase ITK/TSK
TYR	KDR	VGFR2_HUMAN	4AGDA	P35968	802	1169	1356.0	B49:2000	Type1	Inactive	DFGout	16.069	10.7232	BBAminus	-138.96, 169.29	-127.17, 103.68	-55.8, -25.22	266.19, 75.17	52.13, -127.76	in-in	in	6.7782	Saltbr-in	3.0226	HRD-out	-100.33, 104.42	-84.72, 20.62	in-out-in	SNCioi	out-in	ActLoopNT-out	15.8542	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-119.84, 115.98	APE9-dihe-in	-119.8, 140.98	APE8-dihe-in	-66.9, 64.41	APE8-rot-na	27.14	APE67-dihe-in	-54.0, -28.9	-62.45, -38.96	APE12-dist-na	16.4726	APE11-dist-na	15.6507	APE10-dist-na	13.2897	APE9-dist-in	7.7775	E990V	None	None	XRAY	2.81	0.21	0.307	A	353.0	304.0	7	30	30	0	[[834, 1162]]	1.0	4agd	TYR_KDR_HUMAN	TYR	6e-100	339.8	1.0	260.0	260.0	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028.0	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2
TYR	KIT	KIT_HUMAN	8S14A	P10721	554	931	976.0	B49:61001	Type1	Inactive	DFGout	15.6703	11.0048	BBAminus	-130.33, 156.75	-126.16, 102.94	-63.2, -39.5	274.42, 76.71	60.38, -127.64	in-in	in	7.0271	Saltbr-in	2.5554	HRD-in	-74.54, -47.39	71.57, -1.96	in-out-in	SNCioi	out-in	ActLoopNT-out	16.165	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-119.13, 124.86	APE9-dihe-in	-134.1, 147.98	APE8-dihe-in	-82.5, 68.05	APE8-rot-na	34.36	APE67-dihe-in	-70.91, -8.55	-58.2, -39.66	APE12-dist-na	17.8886	APE11-dist-na	15.9084	APE10-dist-na	13.814	APE9-dist-in	7.606	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.5	0.189	0.214	A	327.0	292.0	6	30	30	0	[[589, 926]]	1.0	8s14	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1.0	261.0	261.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0FA	P10721	566	930	976.0	B49:9001	Type1	Inactive	DFGout	15.9324	11.0239	BBAminus	-133.24, 143.68	-91.38, 106.1	-85.13, 9.55	260.45, 86.5	-43.92, 131.31	in-in	in	7.3079	Saltbr-in	2.8577	HRD-out	-104.98, 124.53	-81.9, 0.65	in-out-in	SNCioi	out-in	ActLoopNT-out	16.723	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-98.6, 122.46	APE9-dihe-in	-125.81, 152.57	APE8-dihe-in	-80.31, 82.53	APE8-rot-na	33.57	APE67-dihe-in	-64.38, -18.09	-77.28, -33.89	APE12-dist-na	17.5119	APE11-dist-na	13.7561	APE10-dist-na	12.6611	APE9-dist-in	7.4975	D816H	None	None	XRAY	2.6	0.212	0.255	A	336.0	291.0	16	30	30	0	[[589, 926]]	1.0	3g0f	TYR_KIT_HUMAN	TYR	9.5e-102	346.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0FB	P10721	564	930	976.0	B49:9001	Type1	Inactive	DFGout	16.0247	10.6077	BBAminus	-141.97, 146.96	-100.97, 117.58	-98.35, 1.5	249.66, 85.76	-37.59, 131.92	in-in	in	7.3721	Saltbr-in	2.8397	HRD-out	-103.28, 116.42	-91.73, 18.13	in-out-in	SNCioi	out-in	ActLoopNT-out	16.63	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-94.56, 113.86	APE9-dihe-in	-119.17, 158.81	APE8-dihe-in	-86.16, 69.24	APE8-rot-na	31.3	APE67-dihe-in	-71.68, -15.15	-66.98, -25.93	APE12-dist-na	16.5739	APE11-dist-na	13.4731	APE10-dist-na	12.1304	APE9-dist-in	7.1921	D816H	None	None	XRAY	2.6	0.212	0.255	B	336.0	293.0	16	30	30	0	[[589, 926]]	1.0	3g0f	TYR_KIT_HUMAN	TYR	9.5e-102	346.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0EA	P10721	544	931	976.0	B49:69000	Type1	Inactive	DFGout	17.7461	11.1853	None	-121.33, 151.46	-96.26, 99.11	-97.45, -2.26	201.86, 86.92	-50.22, -44.62	in-in	in	7.9746	Saltbr-in	2.7409	HRD-in	-84.75, -49.91	86.53, -14.09	in-out-in	SNCioi	out-in	ActLoopNT-out	17.007	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-110.72, 116.38	APE9-dihe-in	-130.06, 149.91	APE8-dihe-in	-78.23, 61.24	APE8-rot-na	30.2	APE67-dihe-in	-67.26, -15.34	-60.23, -32.65	APE12-dist-na	20.1707	APE11-dist-na	16.4181	APE10-dist-na	14.3464	APE9-dist-in	7.8964	None	None	None	XRAY	1.6	0.201	0.212	A	336.0	330.0	0	30	30	0	[[589, 926]]	1.0	3g0e	TYR_KIT_HUMAN	TYR	4.8e-102	347.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	PDGFRA	PGFRA_HUMAN	6JOKA	P16234	556	973	1089.0	B49:1001	Type1	Inactive	DFGout	17.3303	10.1516	None	-157.96, 162.23	-90.74, 118.75	-83.04, 4.75	220.32, 127.42	-60.76, -49.9	in-out	in	7.8064	Saltbr-out	4.6095	HRD-in	-71.4, -52.83	71.29, -1.66	out-out-in	SNCooi	out-in	ActLoopNT-out	16.719	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-133.37, 126.64	APE9-dihe-in	-119.51, 140.56	APE8-dihe-in	-75.53, 69.74	APE8-rot-na	31.06	APE67-dihe-in	-63.68, -19.63	-58.21, -43.02	APE12-dist-na	17.5027	APE11-dist-na	14.289	APE10-dist-na	13.1977	APE9-dist-in	7.2863	None	None	None	XRAY	3.8	0.259	0.282	A	356.0	338.0	8	30	30	0	[[593, 952]]	1.0	6jok	TYR_PDGFRA_HUMAN	TYR	9.2e-107	362.5	1.0	260.0	260.0	835	836	837	839	841	627	644	648	815	817	816	818.0	877	865	860	859	858	857	856	855	854	675	Platelet-derived growth factor receptor alpha

Ligand: B49 (Sunitinib)

Total number of chains: 23

Active chains: 5

Total number of genes: 10

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	10	43.5%	4QMZA
DFGout	BBAminus	5	21.7%	8S14A
DFGin	ABAminus	2	8.7%	6NFYB
DFGin	None	2	8.7%	6NG0A
DFGout	None	2	8.7%	3G0EA
DFGin	BLAplus	1	4.3%	3MIYB
DFGin	BLBminus	1	4.3%	3TI1A

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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
CAMK	PHKG2	PHKG2_HUMAN	2Y7JA	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.6653	14.8155	BLAminus	-136.35, -170.16	54.75, 70.88	-92.39, 20.81	284.08, 76.85	-61.83, -24.19	out-out	out	10.2503	Saltbr-out	4.4645	HRD-in	-62.79, -53.07	70.61, 18.6	out-in-in	SNCoii	in-in	ActLoopNT-in	3.0061	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-159.94, 142.23	APE9-dihe-na	122.3, 163.86	APE8-dihe-in	-75.83, 126.85	APE8-rot-in	314.78	APE67-dihe-in	-61.19, -25.01	-48.83, -43.94	APE12-dist-in	8.6987	APE11-dist-in	11.3103	APE10-dist-in	5.7548	APE9-dist-in	3.515	None	None	None	XRAY	2.5	0.184	0.216	A	365.0	284.0	0	27	27	0	[[24, 291]]	1.0	2y7j	Homo sapiens	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JB	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.5643	15.2008	BLAminus	-134.53, -168.98	53.87, 69.09	-88.65, 24.72	282.53, 76.39	-61.6, -27.15	out-out	out	10.4289	Saltbr-out	4.8033	HRD-in	-65.97, -49.45	65.68, 10.08	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9996	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-154.71, 165.45	APE9-dihe-na	107.35, 176.19	APE8-dihe-in	-84.88, 130.97	APE8-rot-in	310.21	APE67-dihe-in	-62.86, -22.06	-48.14, -44.88	APE12-dist-in	8.4147	APE11-dist-in	11.1129	APE10-dist-in	5.4831	APE9-dist-in	3.3537	None	None	None	XRAY	2.5	0.184	0.216	B	365.0	281.0	3	27	27	0	[[24, 291]]	1.0	2y7j	Homo sapiens	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JC	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.7707	14.9963	BLAminus	-128.01, -166.61	49.58, 75.18	-93.06, 22.57	284.6, 75.8	-62.72, -24.5	out-out	out	10.5539	Saltbr-out	4.7934	HRD-in	-67.86, -49.01	71.89, 11.92	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9982	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-153.59, 158.94	APE9-dihe-na	110.48, 179.0	APE8-dihe-in	-88.44, 129.7	APE8-rot-in	310.49	APE67-dihe-in	-63.94, -22.15	-49.61, -43.54	APE12-dist-in	8.4557	APE11-dist-in	11.0472	APE10-dist-in	5.4302	APE9-dist-in	3.5559	None	None	None	XRAY	2.5	0.184	0.216	C	365.0	284.0	0	27	27	0	[[24, 291]]	1.0	2y7j	Homo sapiens	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK	PHKG2	PHKG2_HUMAN	2Y7JD	P15735	10	293	406.0	B49:1294	Type1	Inactive	DFGin	6.6405	15.2236	BLAminus	-131.7, -173.29	54.45, 74.24	-92.53, 24.77	283.53, 75.93	-62.64, -24.73	out-out	out	10.594	Saltbr-out	4.893	HRD-in	-65.75, -51.36	68.23, 9.72	out-in-in	SNCoii	in-in	ActLoopNT-in	2.9937	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-155.1, 164.39	APE9-dihe-na	106.84, 174.06	APE8-dihe-in	-83.97, 130.15	APE8-rot-in	310.84	APE67-dihe-in	-63.49, -21.75	-48.4, -43.95	APE12-dist-in	8.517	APE11-dist-in	11.1966	APE10-dist-in	5.5267	APE9-dist-in	3.3287	None	None	None	XRAY	2.5	0.184	0.216	D	365.0	281.0	3	27	27	0	[[24, 291]]	1.0	2y7j	Homo sapiens	CAMK_PHKG2_HUMAN	CAMK	3.8e-87	298.0	1.0	256.0	256.0	170	171	172	174	176	53	77	81	150	152	151	153.0	215	197	192	191	190	189	188	187	186	108	Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CMGC	CDK2	CDK2_HUMAN	3TI1A	P24941	1	298	298.0	B49:299	Type1	Inactive	DFGin	7.4895	14.9479	BLBminus	-138.54, 165.85	55.25, 50.84	-54.7, 138.08	282.79, 63.1	-95.42, 15.79	out-out	out	16.0388	Saltbr-out	14.6102	HRD-in	-73.91, -54.49	74.09, -22.19	out-out-out	SNCooo	out-out	ActLoopNT-out	7.753	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-103.63, 110.78	APE9-dihe-na	-67.36, 128.32	APE8-dihe-in	-75.16, 126.28	APE8-rot-in	271.07	APE67-dihe-in	-58.11, -32.93	-95.87, -2.85	APE12-dist-out	22.3024	APE11-dist-out	17.6619	APE10-dist-out	19.6118	APE9-dist-out	10.9279	None	None	None	XRAY	1.99	0.205	0.262	A	298.0	294.0	4	28	28	0	[[4, 286]]	1.0	3ti1	Homo sapiens	CMGC_CDK2_HUMAN	CMGC	6.3e-90	307.9	1.0	301.0	301.0	144	145	146	148	150	33	51	55	124	126	125	127.0	185	172	167	166	165	164	163	162	161	81	Cyclin-dependent kinase 2
STE	MAP4K1	M4K1_HUMAN	6NFYA	Q92918	10	292	833.0	B49:69000	Type1	Inactive	DFGin	5.5935	14.9139	ABAminus	-77.99, -10.08	-165.37, 178.6	-100.73, 5.46	299.9, 89.52	78.01, -158.47	out-out	out	11.4151	Saltbr-out	8.8062	HRD-in	-67.76, -54.16	80.53, -5.66	out-out-out	SNCooo	out-out	ActLoopNT-out	5.9718	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_iioi	APE10-dihe-na	-122.43, 132.12	APE9-dihe-na	-84.67, -151.78	APE8-dihe-in	-82.18, 120.44	APE8-rot-in	317.02	APE67-dihe-in	-65.57, -25.36	-45.65, -39.38	APE12-dist-in	12.6433	APE11-dist-in	8.4543	APE10-dist-out	12.9014	APE9-dist-in	3.4341	None	None	None	XRAY	2.17	0.194	0.219	A	300.0	280.0	3	28	28	0	[[17, 274]]	1.0	6nfy	Homo sapiens	STE_MAP4K1_HUMAN	STE	1.6e-92	315.4	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFYB	Q92918	10	292	833.0	B49:69000	Type1	Inactive	DFGin	5.4284	14.4391	ABAminus	-77.59, -12.73	-160.52, 173.22	-94.5, 5.68	304.19, 88.51	70.4, -157.51	out-out	out	11.1512	Saltbr-out	8.0388	HRD-in	-66.24, -54.13	78.28, -9.22	out-out-out	SNCooo	out-out	ActLoopNT-out	6.0056	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oioi	APE10-dihe-na	-128.67, 114.08	APE9-dihe-na	-99.5, -109.92	APE8-dihe-in	-118.15, 107.47	APE8-rot-in	308.81	APE67-dihe-in	-64.32, -24.35	-45.36, -36.49	APE12-dist-out	15.0667	APE11-dist-in	10.5996	APE10-dist-out	15.1288	APE9-dist-in	4.2892	None	None	None	XRAY	2.17	0.194	0.219	B	300.0	283.0	0	28	28	0	[[17, 274]]	1.0	6nfy	Homo sapiens	STE_MAP4K1_HUMAN	STE	1.6e-92	315.4	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFZA	Q92918	7	292	833.0	B49:401	Type1	None	DFGin	6.2841	14.0199	BLAminus	-132.74, -179.97	58.53, 80.12	-96.32, 31.7	293.92, 71.67	-62.29, -28.15	in-none	in	8.6336	Saltbr-none	999.0	HRD-in	-77.39, -48.16	72.34, -9.45	none-in-in	SNCnii	in-in	ActLoopNT-in	2.8383	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.28, 161.74	APE9-dihe-na	145.04, -157.57	APE8-dihe-in	-127.09, 102.67	APE8-rot-in	298.6	APE67-dihe-in	-54.23, -29.76	-34.34, -51.63	APE12-dist-in	8.2408	APE11-dist-in	11.6256	APE10-dist-in	6.1775	APE9-dist-in	3.9164	None	TPO165,SEP171	TPO165,SEP171	XRAY	2.966	0.209	0.251	A	309.0	270.0	16	28	28	0	[[17, 274]]	1.0	6nfz	Homo sapiens	STE_MAP4K1_HUMAN	STE	1.7e-92	315.3	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NFZB	Q92918	5	292	833.0	B49:9001	Type1	Active	DFGin	6.5693	14.1248	BLAminus	-143.42, 177.82	59.84, 65.59	-92.66, 20.58	294.3, 90.38	-59.43, -39.56	in-in	in	8.6509	Saltbr-in	3.5599	HRD-in	-78.49, -47.72	65.71, 8.89	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8584	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-156.78, 156.37	APE9-dihe-na	142.37, -174.26	APE8-dihe-in	-102.95, 108.5	APE8-rot-in	309.31	APE67-dihe-in	-65.17, -28.5	-37.53, -43.95	APE12-dist-in	8.1845	APE11-dist-in	11.4365	APE10-dist-in	5.9754	APE9-dist-in	3.8536	None	TPO165,SEP171	TPO165,SEP171	XRAY	2.966	0.209	0.251	B	309.0	277.0	11	28	25	3	[[17, 274]]	1.0	6nfz	Homo sapiens	STE_MAP4K1_HUMAN	STE	1.7e-92	315.3	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NG0A	Q92918	6	302	833.0	B49:9000	Type1	Inactive	DFGin	5.141	15.0649	None	-69.74, 172.09	-58.45, 155.47	-142.74, 154.55	54.54, 93.56	67.99, -7.56	out-out	out	12.8583	Saltbr-out	10.8147	HRD-in	-63.9, -48.24	77.74, -8.02	out-out-out	SNCooo	out-out	ActLoopNT-out	10.601	ActLoopCT-out	nonTYR	APEdihe_aaiii	APEdist_oooo	APE10-dihe-na	-51.88, -33.41	APE9-dihe-na	-72.94, -17.4	APE8-dihe-in	-134.99, 76.22	APE8-rot-in	306.88	APE67-dihe-in	-54.91, -28.64	-97.55, -2.9	APE12-dist-out	23.0746	APE11-dist-out	25.0122	APE10-dist-out	24.5939	APE9-dist-out	28.7355	T165E,S171E	None	None	XRAY	2.05	0.202	0.229	A	309.0	289.0	8	28	23	5	[[17, 274]]	1.0	6ng0	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	MAP4K1	M4K1_HUMAN	6NG0B	Q92918	7	293	833.0	B49:9000	Type1	Inactive	DFGout	15.0222	9.0265	BBAminus	-132.93, 173.24	-130.35, 91.11	-75.14, -30.73	272.68, 88.14	-91.62, -130.52	out-out	out	11.213	Saltbr-out	7.483	HRD-in	-72.09, -46.07	68.34, -7.21	out-out-out	SNCooo	out-out	ActLoopNT-out	6.1101	ActLoopCT-out	nonTYR	APEdihe_aaioi	APEdist_oooo	APE10-dihe-na	-73.37, 118.48	APE9-dihe-na	-63.42, 177.66	APE8-dihe-in	-42.4, 131.86	APE8-rot-out	56.61	APE67-dihe-in	-50.2, -28.57	-93.94, -13.91	APE12-dist-out	19.9762	APE11-dist-out	20.334	APE10-dist-out	21.461	APE9-dist-out	26.7294	T165E,S171E	None	None	XRAY	2.05	0.202	0.229	B	309.0	279.0	8	28	28	0	[[17, 274]]	1.0	6ng0	Homo sapiens	STE_MAP4K1_HUMAN	STE	4.9e-92	313.8	1.0	256.0	256.0	154	155	156	158	160	46	62	66	134	136	135	137.0	197	182	177	176	175	174	173	172	171	92	Mitogen-activated protein kinase kinase kinase kinase 1
STE	PAK6	PAK6_HUMAN	4KS8A	Q9NQU5	385	671	681.0	B49:701	Type1	Active	DFGin	6.3448	13.5239	BLAminus	-140.01, -170.23	63.35, 61.58	-89.05, 6.98	299.26, 108.58	-57.68, -33.0	in-in	in	6.9584	Saltbr-in	2.9133	HRD-in	-67.27, -52.49	75.45, -5.04	in-in-in	SNCiii	in-in	ActLoopNT-in	2.8012	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-128.89, 129.35	APE9-dihe-na	153.97, -169.18	APE8-dihe-in	-106.27, 121.21	APE8-rot-in	308.12	APE67-dihe-in	-63.35, -19.7	-31.2, -62.7	APE12-dist-in	9.8713	APE11-dist-in	11.5056	APE10-dist-in	5.7538	APE9-dist-in	3.36	None	SEP560	SEP560	XRAY	1.95	0.22	0.261	A	292.0	287.0	0	28	28	0	[[407, 658]]	1.0	4ks8	Homo sapiens	STE_PAK6_HUMAN	STE	2.4e-91	311.6	4.0	257.0	254.0	543	544	545	547	549	436	452	456	523	525	524	526.0	583	571	566	565	564	563	562	561	560	482	Serine/threonine-protein kinase PAK 6
STE	STK24	STK24_HUMAN	4QMZA	Q9Y6E0	25	311	443.0	B49:60401	Type1	Active	DFGin	6.6747	14.6574	BLAminus	-133.12, 166.14	69.3, 93.82	-111.91, 23.7	289.08, 84.55	-59.76, -25.99	in-in	in	8.8952	Saltbr-in	2.7504	HRD-in	-68.41, -48.56	68.12, 3.56	in-in-in	SNCiii	in-in	ActLoopNT-in	2.829	ActLoopCT-in	nonTYR	APEdihe_aaiii	APEdist_iiii	APE10-dihe-na	-141.76, 163.1	APE9-dihe-na	121.05, -160.77	APE8-dihe-in	-122.53, 120.41	APE8-rot-in	306.26	APE67-dihe-in	-58.31, -30.91	-44.32, -46.7	APE12-dist-in	8.0567	APE11-dist-in	10.8039	APE10-dist-in	5.0561	APE9-dist-in	3.2478	None	TPO190	TPO190	XRAY	1.88	0.168	0.224	A	310.0	287.0	0	28	28	0	[[36, 286]]	1.0	4qmz	Homo sapiens	STE_STK24_HUMAN	STE	3.9e-100	340.4	1.0	257.0	257.0	173	174	175	177	179	65	82	86	153	155	154	156.0	213	201	196	195	194	193	192	191	190	112	Serine/threonine-protein kinase 24
TYR	ITK	ITK_HUMAN	3MIYB	Q08881	357	619	620.0	B49:60002	Type1	Inactive	DFGin	4.594	14.3076	BLAplus	-119.14, 168.78	58.23, 44.95	-107.27, 10.53	54.14, 85.29	-87.92, 999.0	in-out	in	9.7941	Saltbr-out	4.8729	HRD-in	-72.48, -51.01	80.11, -14.33	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	TYR	APEdihe_nnnai	APEdist_aaan	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 999.0	APE8-dihe-none	999.0, 102.33	APE8-rot-na	353.07	APE67-dihe-in	-63.42, -24.1	-64.07, -27.41	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-none	999.0	C477S,E614A,E617A	None	None	XRAY	1.67	0.208	0.234	B	266.0	238.0	25	29	11	18	[[363, 614]]	1.0	3miy	Homo sapiens	TYR_ITK_HUMAN	TYR	5e-93	317.1	1.0	260.0	260.0	499	500	501	503	505	391	406	410	479	481	480	482.0	540	528	523	522	521	520	519	518	517	436	Tyrosine-protein kinase ITK/TSK
TYR	ITK	ITK_HUMAN	3MIYA	Q08881	357	619	620.0	B49:60001	Type1	Inactive	DFGin	4.4986	14.3272	None	-118.72, 169.24	51.5, 47.57	-103.74, 999.0	53.54, 86.2	999.0, 999.0	in-out	in	9.8276	Saltbr-out	5.0446	HRD-in	-71.62, -53.3	80.88, -14.93	out-none-none	SNConn	none-none	ActLoopNT-none	999.0	ActLoopCT-none	TYR	APEdihe_nnnai	APEdist_aaan	APE10-dihe-none	999.0, 999.0	APE9-dihe-none	999.0, 999.0	APE8-dihe-none	999.0, 84.04	APE8-rot-na	334.29	APE67-dihe-in	-65.24, -21.92	-59.14, -28.73	APE12-dist-na	999.0	APE11-dist-na	999.0	APE10-dist-na	999.0	APE9-dist-none	999.0	C477S,E614A,E617A	None	None	XRAY	1.67	0.208	0.234	A	266.0	237.0	26	29	10	19	[[363, 614]]	1.0	3miy	Homo sapiens	TYR_ITK_HUMAN	TYR	5e-93	317.1	1.0	260.0	260.0	499	500	501	503	505	391	406	410	479	481	480	482.0	540	528	523	522	521	520	519	518	517	436	Tyrosine-protein kinase ITK/TSK
TYR	KDR	VGFR2_HUMAN	4AGDA	P35968	802	1169	1356.0	B49:2000	Type1	Inactive	DFGout	16.069	10.7232	BBAminus	-138.96, 169.29	-127.17, 103.68	-55.8, -25.22	266.19, 75.17	52.13, -127.76	in-in	in	6.7782	Saltbr-in	3.0226	HRD-out	-100.33, 104.42	-84.72, 20.62	in-out-in	SNCioi	out-in	ActLoopNT-out	15.8542	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-119.84, 115.98	APE9-dihe-in	-119.8, 140.98	APE8-dihe-in	-66.9, 64.41	APE8-rot-na	27.14	APE67-dihe-in	-54.0, -28.9	-62.45, -38.96	APE12-dist-na	16.4726	APE11-dist-na	15.6507	APE10-dist-na	13.2897	APE9-dist-in	7.7775	E990V	None	None	XRAY	2.81	0.21	0.307	A	353.0	304.0	7	30	30	0	[[834, 1162]]	1.0	4agd	Homo sapiens	TYR_KDR_HUMAN	TYR	6e-100	339.8	1.0	260.0	260.0	1045	1046	1047	1049	1051	868	885	889	1025	1027	1026	1028.0	1087	1075	1070	1069	1068	1067	1066	1065	1064	917	Vascular endothelial growth factor receptor 2
TYR	KIT	KIT_HUMAN	8S14A	P10721	554	931	976.0	B49:61001	Type1	Inactive	DFGout	15.6703	11.0048	BBAminus	-130.33, 156.75	-126.16, 102.94	-63.2, -39.5	274.42, 76.71	60.38, -127.64	in-in	in	7.0271	Saltbr-in	2.5554	HRD-in	-74.54, -47.39	71.57, -1.96	in-out-in	SNCioi	out-in	ActLoopNT-out	16.165	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-119.13, 124.86	APE9-dihe-in	-134.1, 147.98	APE8-dihe-in	-82.5, 68.05	APE8-rot-na	34.36	APE67-dihe-in	-70.91, -8.55	-58.2, -39.66	APE12-dist-na	17.8886	APE11-dist-na	15.9084	APE10-dist-na	13.814	APE9-dist-in	7.606	I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D	None	None	XRAY	1.5	0.189	0.214	A	327.0	292.0	6	30	30	0	[[589, 926]]	1.0	8s14	Homo sapiens	TYR_KIT_HUMAN	TYR	2.3e-104	354.3	1.0	261.0	261.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0FA	P10721	566	930	976.0	B49:9001	Type1	Inactive	DFGout	15.9324	11.0239	BBAminus	-133.24, 143.68	-91.38, 106.1	-85.13, 9.55	260.45, 86.5	-43.92, 131.31	in-in	in	7.3079	Saltbr-in	2.8577	HRD-out	-104.98, 124.53	-81.9, 0.65	in-out-in	SNCioi	out-in	ActLoopNT-out	16.723	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-98.6, 122.46	APE9-dihe-in	-125.81, 152.57	APE8-dihe-in	-80.31, 82.53	APE8-rot-na	33.57	APE67-dihe-in	-64.38, -18.09	-77.28, -33.89	APE12-dist-na	17.5119	APE11-dist-na	13.7561	APE10-dist-na	12.6611	APE9-dist-in	7.4975	D816H	None	None	XRAY	2.6	0.212	0.255	A	336.0	291.0	16	30	30	0	[[589, 926]]	1.0	3g0f	Homo sapiens	TYR_KIT_HUMAN	TYR	9.5e-102	346.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0FB	P10721	564	930	976.0	B49:9001	Type1	Inactive	DFGout	16.0247	10.6077	BBAminus	-141.97, 146.96	-100.97, 117.58	-98.35, 1.5	249.66, 85.76	-37.59, 131.92	in-in	in	7.3721	Saltbr-in	2.8397	HRD-out	-103.28, 116.42	-91.73, 18.13	in-out-in	SNCioi	out-in	ActLoopNT-out	16.63	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-94.56, 113.86	APE9-dihe-in	-119.17, 158.81	APE8-dihe-in	-86.16, 69.24	APE8-rot-na	31.3	APE67-dihe-in	-71.68, -15.15	-66.98, -25.93	APE12-dist-na	16.5739	APE11-dist-na	13.4731	APE10-dist-na	12.1304	APE9-dist-in	7.1921	D816H	None	None	XRAY	2.6	0.212	0.255	B	336.0	293.0	16	30	30	0	[[589, 926]]	1.0	3g0f	Homo sapiens	TYR_KIT_HUMAN	TYR	9.5e-102	346.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	KIT	KIT_HUMAN	3G0EA	P10721	544	931	976.0	B49:69000	Type1	Inactive	DFGout	17.7461	11.1853	None	-121.33, 151.46	-96.26, 99.11	-97.45, -2.26	201.86, 86.92	-50.22, -44.62	in-in	in	7.9746	Saltbr-in	2.7409	HRD-in	-84.75, -49.91	86.53, -14.09	in-out-in	SNCioi	out-in	ActLoopNT-out	17.007	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-110.72, 116.38	APE9-dihe-in	-130.06, 149.91	APE8-dihe-in	-78.23, 61.24	APE8-rot-na	30.2	APE67-dihe-in	-67.26, -15.34	-60.23, -32.65	APE12-dist-na	20.1707	APE11-dist-na	16.4181	APE10-dist-na	14.3464	APE9-dist-in	7.8964	None	None	None	XRAY	1.6	0.201	0.212	A	336.0	330.0	0	30	30	0	[[589, 926]]	1.0	3g0e	Homo sapiens	TYR_KIT_HUMAN	TYR	4.8e-102	347.0	1.0	260.0	260.0	809	810	811	813	815	623	640	644	789	791	790	792.0	851	839	834	833	832	831	830	829	828	671	Mast/stem cell growth factor receptor Kit
TYR	PDGFRA	PGFRA_HUMAN	6JOKA	P16234	556	973	1089.0	B49:1001	Type1	Inactive	DFGout	17.3303	10.1516	None	-157.96, 162.23	-90.74, 118.75	-83.04, 4.75	220.32, 127.42	-60.76, -49.9	in-out	in	7.8064	Saltbr-out	4.6095	HRD-in	-71.4, -52.83	71.29, -1.66	out-out-in	SNCooi	out-in	ActLoopNT-out	16.719	ActLoopCT-in	TYR	APEdihe_iiiai	APEdist_aaai	APE10-dihe-in	-133.37, 126.64	APE9-dihe-in	-119.51, 140.56	APE8-dihe-in	-75.53, 69.74	APE8-rot-na	31.06	APE67-dihe-in	-63.68, -19.63	-58.21, -43.02	APE12-dist-na	17.5027	APE11-dist-na	14.289	APE10-dist-na	13.1977	APE9-dist-in	7.2863	None	None	None	XRAY	3.8	0.259	0.282	A	356.0	338.0	8	30	30	0	[[593, 952]]	1.0	6jok	Homo sapiens	TYR_PDGFRA_HUMAN	TYR	9.2e-107	362.5	1.0	260.0	260.0	835	836	837	839	841	627	644	648	815	817	816	818.0	877	865	860	859	858	857	856	855	854	675	Platelet-derived growth factor receptor alpha
OTHER	RNASEL	A5H025_PIG	6M11A	A5H025	22	727	743.0	25A:1000,B49:1001	Allosteric,Type1	Active	DFGin	6.4775	12.988	BLAminus	-155.56, -175.42	53.36, 69.23	-78.35, 0.82	299.16, 87.45	-44.61, -27.7	in-in	in	6.9973	Saltbr-in	2.7597	HRD-in	-77.65, -46.61	73.81, -8.63	in-in-na	SNCiia	in-na	ActLoopNT-in	2.9186	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-150.91, 91.82	APE9-dihe-na	-58.05, -29.31	APE8-dihe-na	-85.86, 5.21	APE8-rot-na	81.56	APE67-dihe-na	-49.78, -40.92	-78.75, -14.68	APE12-dist-na	15.8012	APE11-dist-na	12.511	APE10-dist-na	13.1969	APE9-dist-na	13.8976	None	None	None	XRAY	2.46	0.223	0.285	a	717.0	681.0	3	20	20	0	[[351, 591]]	1.0	6m11	Sus scrofa	OTHER_RNASEL_PIG	RNASEL	2.2e-128	433.7	1.0	242.0	242.0	499	500	501	503	505	390	402	406	479	481	480	482.0	517	519	514	513	512	511	510	509	508	433	Ribonuclease L
OTHER	RNASEL	A5H025_PIG	6M11B	A5H025	23	727	743.0	25A:801,B49:802	Allosteric,Type1	Active	DFGin	6.4307	12.9157	BLAminus	-135.39, -175.08	63.06, 58.49	-90.2, 44.42	312.3, 86.88	-87.38, -12.11	in-in	in	7.0656	Saltbr-in	2.7498	HRD-in	-74.93, -49.19	77.69, -5.89	in-in-na	SNCiia	in-na	ActLoopNT-in	2.8903	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-145.22, 69.59	APE9-dihe-na	-60.88, -23.05	APE8-dihe-na	-93.06, -0.03	APE8-rot-na	81.83	APE67-dihe-na	-42.69, -43.6	-77.55, -16.15	APE12-dist-na	15.985	APE11-dist-na	13.983	APE10-dist-na	12.943	APE9-dist-na	14.252	None	None	None	XRAY	2.46	0.223	0.285	b	717.0	684.0	0	20	20	0	[[351, 591]]	1.0	6m11	Sus scrofa	OTHER_RNASEL_PIG	RNASEL	2.2e-128	433.7	1.0	242.0	242.0	499	500	501	503	505	390	402	406	479	481	480	482.0	517	519	514	513	512	511	510	509	508	433	Ribonuclease L

Ligand: B49 (Sunitinib)

Total number of chains: 2

Active chains: 2

Total number of genes: 1

Spatial label	Dihedral label	Number of Chains	Percent	Representative
DFGin	BLAminus	2	100.0%	6M11b

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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
OTHER	RNASEL	A5H025_PIG	6M11A	A5H025	22	727	743.0	25A:1000,B49:1001	Allosteric,Type1	Active	DFGin	6.4775	12.988	BLAminus	-155.56, -175.42	53.36, 69.23	-78.35, 0.82	299.16, 87.45	-44.61, -27.7	in-in	in	6.9973	Saltbr-in	2.7597	HRD-in	-77.65, -46.61	73.81, -8.63	in-in-na	SNCiia	in-na	ActLoopNT-in	2.9186	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-150.91, 91.82	APE9-dihe-na	-58.05, -29.31	APE8-dihe-na	-85.86, 5.21	APE8-rot-na	81.56	APE67-dihe-na	-49.78, -40.92	-78.75, -14.68	APE12-dist-na	15.8012	APE11-dist-na	12.511	APE10-dist-na	13.1969	APE9-dist-na	13.8976	None	None	None	XRAY	2.46	0.223	0.285	a	717.0	681.0	3	20	20	0	[[351, 591]]	1.0	6m11	Sus scrofa	OTHER_RNASEL_PIG	RNASEL	2.2e-128	433.7	1.0	242.0	242.0	499	500	501	503	505	390	402	406	479	481	480	482.0	517	519	514	513	512	511	510	509	508	433	Ribonuclease L
OTHER	RNASEL	A5H025_PIG	6M11B	A5H025	23	727	743.0	25A:801,B49:802	Allosteric,Type1	Active	DFGin	6.4307	12.9157	BLAminus	-135.39, -175.08	63.06, 58.49	-90.2, 44.42	312.3, 86.88	-87.38, -12.11	in-in	in	7.0656	Saltbr-in	2.7498	HRD-in	-74.93, -49.19	77.69, -5.89	in-in-na	SNCiia	in-na	ActLoopNT-in	2.8903	ActLoopCT-na	noAPE	APEdihe_aaaaa	APEdist_aaaa	APE10-dihe-na	-145.22, 69.59	APE9-dihe-na	-60.88, -23.05	APE8-dihe-na	-93.06, -0.03	APE8-rot-na	81.83	APE67-dihe-na	-42.69, -43.6	-77.55, -16.15	APE12-dist-na	15.985	APE11-dist-na	13.983	APE10-dist-na	12.943	APE9-dist-na	14.252	None	None	None	XRAY	2.46	0.223	0.285	b	717.0	684.0	0	20	20	0	[[351, 591]]	1.0	6m11	Sus scrofa	OTHER_RNASEL_PIG	RNASEL	2.2e-128	433.7	1.0	242.0	242.0	499	500	501	503	505	390	402	406	479	481	480	482.0	517	519	514	513	512	511	510	509	508	433	Ribonuclease L

Ligand: B49 (Sunitinib)

Total number of chains: 21

Active chains: 3

Total number of genes: 9

All chains

Representatives

All chains - renumbered by

Ligand: B49 (Sunitinib)

Total number of chains: 23

Active chains: 5

Total number of genes: 10

All chains

Representatives

All chains - renumbered by

Ligand: B49 (Sunitinib)

Total number of chains: 2

Active chains: 2

Total number of genes: 1

All chains

Representatives

All chains - renumbered by