PDB: 2OIB — TKL IRAK4_HUMAN

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

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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 2OIBA Q9NWZ3 162 458 460.0 No_ligand No_ligand Active DFGin 7.2364 14.0842 BLAminus -134.16, -176.28 54.93, 81.04 -100.11, 21.09 297.23, 89.01 -65.48, -18.31 in-in in 9.1219 Saltbr-in 2.8468 HRD-in -68.64, -53.67 81.53, -4.3 in-in-in SNCiii in-in ActLoopNT-in 2.6863 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.86, 156.66 APE9-dihe-na 135.28, -174.63 APE8-dihe-in -110.16, 113.63 APE8-rot-in 304.76 APE67-dihe-in -68.16, -10.88 -49.28, -45.36 APE12-dist-in 10.0718 APE11-dist-in 11.7658 APE10-dist-in 6.4573 APE9-dist-in 3.9204 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 A 301.0 283.0 14 30 26 4 [[183, 456]] 1.0 2oib 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 2OIBB Q9NWZ3 164 459 460.0 No_ligand No_ligand Inactive DFGin 6.9115 14.3665 BLAminus -130.73, 177.63 60.98, 89.06 -107.76, 18.75 304.42, 96.69 -61.49, -32.17 in-out in 8.7105 Saltbr-out 4.9735 HRD-in -73.5, -47.34 78.41, -6.88 out-in-in SNCoii in-in ActLoopNT-in 2.603 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.65, 163.49 APE9-dihe-na 129.0, -175.48 APE8-dihe-in -112.62, 115.8 APE8-rot-in 312.17 APE67-dihe-in -59.96, -17.14 -45.91, -50.69 APE12-dist-in 10.1468 APE11-dist-in 11.7665 APE10-dist-in 6.2429 APE9-dist-in 3.6764 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 B 301.0 280.0 16 30 25 5 [[183, 456]] 1.0 2oib 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 2OIBC Q9NWZ3 161 458 460.0 No_ligand No_ligand Active DFGin 6.7825 13.9217 BLAminus -128.61, -179.25 54.07, 81.1 -99.0, 24.35 303.67, 85.85 -70.18, -11.07 in-in in 9.001 Saltbr-in 2.7478 HRD-in -69.66, -51.82 77.63, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.7889 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.16, 161.47 APE9-dihe-na 128.44, -177.87 APE8-dihe-in -108.48, 112.83 APE8-rot-in 306.45 APE67-dihe-in -63.49, -17.45 -45.36, -47.81 APE12-dist-in 9.7554 APE11-dist-in 11.7364 APE10-dist-in 6.1609 APE9-dist-in 3.6923 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 C 301.0 281.0 17 30 26 4 [[183, 456]] 1.0 2oib 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 2OIBD Q9NWZ3 162 459 460.0 No_ligand No_ligand Inactive DFGin 6.869 14.1067 BLAminus -132.48, 179.0 58.57, 90.78 -108.79, 13.93 305.25, 93.63 -59.23, -27.46 in-out in 8.5749 Saltbr-out 3.9104 HRD-in -70.94, -53.7 84.55, -7.25 out-in-in SNCoii in-in ActLoopNT-in 2.7686 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.13, 162.11 APE9-dihe-na 127.99, -173.2 APE8-dihe-in -112.52, 109.59 APE8-rot-in 304.94 APE67-dihe-in -66.63, -13.02 -35.96, -52.59 APE12-dist-in 10.1459 APE11-dist-in 11.7056 APE10-dist-in 6.2291 APE9-dist-in 3.8573 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 D 301.0 291.0 7 30 30 0 [[183, 456]] 1.0 2oib 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: 2OIB — TKL IRAK4_HUMAN

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

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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 2OIBA Q9NWZ3 162 458 460.0 No_ligand No_ligand Active DFGin 7.2364 14.0842 BLAminus -134.16, -176.28 54.93, 81.04 -100.11, 21.09 297.23, 89.01 -65.48, -18.31 in-in in 9.1219 Saltbr-in 2.8468 HRD-in -68.64, -53.67 81.53, -4.3 in-in-in SNCiii in-in ActLoopNT-in 2.6863 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.86, 156.66 APE9-dihe-na 135.28, -174.63 APE8-dihe-in -110.16, 113.63 APE8-rot-in 304.76 APE67-dihe-in -68.16, -10.88 -49.28, -45.36 APE12-dist-in 10.0718 APE11-dist-in 11.7658 APE10-dist-in 6.4573 APE9-dist-in 3.9204 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 A 301.0 283.0 14 30 26 4 [[183, 456]] 1.0 2oib 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 2OIBB Q9NWZ3 164 459 460.0 No_ligand No_ligand Inactive DFGin 6.9115 14.3665 BLAminus -130.73, 177.63 60.98, 89.06 -107.76, 18.75 304.42, 96.69 -61.49, -32.17 in-out in 8.7105 Saltbr-out 4.9735 HRD-in -73.5, -47.34 78.41, -6.88 out-in-in SNCoii in-in ActLoopNT-in 2.603 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.65, 163.49 APE9-dihe-na 129.0, -175.48 APE8-dihe-in -112.62, 115.8 APE8-rot-in 312.17 APE67-dihe-in -59.96, -17.14 -45.91, -50.69 APE12-dist-in 10.1468 APE11-dist-in 11.7665 APE10-dist-in 6.2429 APE9-dist-in 3.6764 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 B 301.0 280.0 16 30 25 5 [[183, 456]] 1.0 2oib 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 2OIBC Q9NWZ3 161 458 460.0 No_ligand No_ligand Active DFGin 6.7825 13.9217 BLAminus -128.61, -179.25 54.07, 81.1 -99.0, 24.35 303.67, 85.85 -70.18, -11.07 in-in in 9.001 Saltbr-in 2.7478 HRD-in -69.66, -51.82 77.63, -0.65 in-in-in SNCiii in-in ActLoopNT-in 2.7889 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.16, 161.47 APE9-dihe-na 128.44, -177.87 APE8-dihe-in -108.48, 112.83 APE8-rot-in 306.45 APE67-dihe-in -63.49, -17.45 -45.36, -47.81 APE12-dist-in 9.7554 APE11-dist-in 11.7364 APE10-dist-in 6.1609 APE9-dist-in 3.6923 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 C 301.0 281.0 17 30 26 4 [[183, 456]] 1.0 2oib 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 2OIBD Q9NWZ3 162 459 460.0 No_ligand No_ligand Inactive DFGin 6.869 14.1067 BLAminus -132.48, 179.0 58.57, 90.78 -108.79, 13.93 305.25, 93.63 -59.23, -27.46 in-out in 8.5749 Saltbr-out 3.9104 HRD-in -70.94, -53.7 84.55, -7.25 out-in-in SNCoii in-in ActLoopNT-in 2.7686 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.13, 162.11 APE9-dihe-na 127.99, -173.2 APE8-dihe-in -112.52, 109.59 APE8-rot-in 304.94 APE67-dihe-in -66.63, -13.02 -35.96, -52.59 APE12-dist-in 10.1459 APE11-dist-in 11.7056 APE10-dist-in 6.2291 APE9-dist-in 3.8573 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.0 0.224 0.27 D 301.0 291.0 7 30 30 0 [[183, 456]] 1.0 2oib 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: 2OIB — 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