PDB: 2OID — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 2OIDD

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TKL IRAK4 IRAK4_HUMAN 2OIDA Q9NWZ3 164 458 460.0 ANP:1 ATPlike Inactive DFGin 6.9661 14.6844 BLAminus -127.55, 175.38 65.24, 82.27 -102.22, 23.11 306.08, 83.19 -64.75, -29.47 out-out out 11.8323 Saltbr-out 5.6903 HRD-in -73.12, -50.9 80.09, -6.55 out-in-in SNCoii in-in ActLoopNT-in 2.8231 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.88, 151.66 APE9-dihe-na 147.16, -164.5 APE8-dihe-in -113.74, 115.19 APE8-rot-in 308.34 APE67-dihe-in -64.44, -17.27 -37.39, -54.71 APE12-dist-in 9.8258 APE11-dist-in 11.5381 APE10-dist-in 6.0721 APE9-dist-in 3.8073 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 A 301.0 266.0 29 30 26 4 [[183, 456]] 1.0 2oid TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDB Q9NWZ3 164 459 460.0 ANP:2 ATPlike Inactive DFGin 6.94 14.7103 BLAminus -122.34, 171.98 72.6, 82.12 -104.43, 15.54 299.16, 90.11 -59.64, -29.05 in-out in 8.9076 Saltbr-out 3.9298 HRD-in -75.58, -47.6 78.52, -5.87 out-in-in SNCoii in-in ActLoopNT-in 2.7304 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.71, 158.05 APE9-dihe-na 142.8, -157.21 APE8-dihe-in -121.23, 117.8 APE8-rot-in 309.19 APE67-dihe-in -67.67, -11.87 -44.28, -49.35 APE12-dist-in 10.1904 APE11-dist-in 11.7427 APE10-dist-in 6.5221 APE9-dist-in 3.7233 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 B 301.0 274.0 22 30 24 6 [[183, 456]] 1.0 2oid TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDC Q9NWZ3 166 458 460.0 ANP:3 ATPlike Inactive DFGin 6.806 13.9727 BLAminus -130.4, 175.52 61.07, 75.53 -96.05, 32.37 309.84, 82.72 -74.67, -28.22 in-out in 8.9014 Saltbr-out 4.0238 HRD-in -62.6, -55.98 80.8, 1.53 out-in-in SNCoii in-in ActLoopNT-in 3.032 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.92, 158.28 APE9-dihe-na 138.01, -176.06 APE8-dihe-in -106.21, 116.22 APE8-rot-in 304.08 APE67-dihe-in -63.21, -15.57 -55.27, -41.4 APE12-dist-in 9.6871 APE11-dist-in 11.4204 APE10-dist-in 6.3612 APE9-dist-in 3.8779 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 C 301.0 259.0 34 30 24 6 [[183, 456]] 1.0 2oid TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDD Q9NWZ3 164 459 460.0 ANP:4 ATPlike Active DFGin 6.5602 13.9721 BLAminus -129.12, -177.03 59.13, 109.88 -131.38, 17.54 304.54, 87.5 -68.37, -4.63 in-in in 8.1503 Saltbr-in 3.5198 HRD-in -75.54, -51.34 70.58, 2.03 in-in-in SNCiii in-in ActLoopNT-in 2.7649 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.72, 147.52 APE9-dihe-na 139.0, -173.6 APE8-dihe-in -107.1, 118.58 APE8-rot-in 309.04 APE67-dihe-in -62.68, -15.82 -47.4, -49.91 APE12-dist-in 9.7501 APE11-dist-in 11.4404 APE10-dist-in 5.9279 APE9-dist-in 3.9698 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 D 301.0 277.0 19 30 27 3 [[183, 456]] 1.0 2oid TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

PDB: 2OID — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 2OIDD

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TKL IRAK4 IRAK4_HUMAN 2OIDA Q9NWZ3 164 458 460.0 ANP:1 ATPlike Inactive DFGin 6.9661 14.6844 BLAminus -127.55, 175.38 65.24, 82.27 -102.22, 23.11 306.08, 83.19 -64.75, -29.47 out-out out 11.8323 Saltbr-out 5.6903 HRD-in -73.12, -50.9 80.09, -6.55 out-in-in SNCoii in-in ActLoopNT-in 2.8231 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.88, 151.66 APE9-dihe-na 147.16, -164.5 APE8-dihe-in -113.74, 115.19 APE8-rot-in 308.34 APE67-dihe-in -64.44, -17.27 -37.39, -54.71 APE12-dist-in 9.8258 APE11-dist-in 11.5381 APE10-dist-in 6.0721 APE9-dist-in 3.8073 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 A 301.0 266.0 29 30 26 4 [[183, 456]] 1.0 2oid Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDB Q9NWZ3 164 459 460.0 ANP:2 ATPlike Inactive DFGin 6.94 14.7103 BLAminus -122.34, 171.98 72.6, 82.12 -104.43, 15.54 299.16, 90.11 -59.64, -29.05 in-out in 8.9076 Saltbr-out 3.9298 HRD-in -75.58, -47.6 78.52, -5.87 out-in-in SNCoii in-in ActLoopNT-in 2.7304 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.71, 158.05 APE9-dihe-na 142.8, -157.21 APE8-dihe-in -121.23, 117.8 APE8-rot-in 309.19 APE67-dihe-in -67.67, -11.87 -44.28, -49.35 APE12-dist-in 10.1904 APE11-dist-in 11.7427 APE10-dist-in 6.5221 APE9-dist-in 3.7233 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 B 301.0 274.0 22 30 24 6 [[183, 456]] 1.0 2oid Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDC Q9NWZ3 166 458 460.0 ANP:3 ATPlike Inactive DFGin 6.806 13.9727 BLAminus -130.4, 175.52 61.07, 75.53 -96.05, 32.37 309.84, 82.72 -74.67, -28.22 in-out in 8.9014 Saltbr-out 4.0238 HRD-in -62.6, -55.98 80.8, 1.53 out-in-in SNCoii in-in ActLoopNT-in 3.032 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.92, 158.28 APE9-dihe-na 138.01, -176.06 APE8-dihe-in -106.21, 116.22 APE8-rot-in 304.08 APE67-dihe-in -63.21, -15.57 -55.27, -41.4 APE12-dist-in 9.6871 APE11-dist-in 11.4204 APE10-dist-in 6.3612 APE9-dist-in 3.8779 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 C 301.0 259.0 34 30 24 6 [[183, 456]] 1.0 2oid Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 2OIDD Q9NWZ3 164 459 460.0 ANP:4 ATPlike Active DFGin 6.5602 13.9721 BLAminus -129.12, -177.03 59.13, 109.88 -131.38, 17.54 304.54, 87.5 -68.37, -4.63 in-in in 8.1503 Saltbr-in 3.5198 HRD-in -75.54, -51.34 70.58, 2.03 in-in-in SNCiii in-in ActLoopNT-in 2.7649 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.72, 147.52 APE9-dihe-na 139.0, -173.6 APE8-dihe-in -107.1, 118.58 APE8-rot-in 309.04 APE67-dihe-in -62.68, -15.82 -47.4, -49.91 APE12-dist-in 9.7501 APE11-dist-in 11.4404 APE10-dist-in 5.9279 APE9-dist-in 3.9698 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.3 0.244 0.295 D 301.0 277.0 19 30 27 3 [[183, 456]] 1.0 2oid Homo sapiens TKL_IRAK4_HUMAN TKL 4.1e-84 288.2 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

PDB: 2OID — TKL IRAK4_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name