PDB: 4YO6 — 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% 4YO6A

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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 4YO6A Q9NWZ3 163 459 460.0 4GD:501 Type1 Inactive DFGin 6.8617 13.9601 BLAminus -129.91, 177.67 60.76, 83.02 -105.78, 15.82 308.47, 100.26 -61.62, -37.54 in-out in 8.6354 Saltbr-out 3.7566 HRD-in -64.27, -52.67 78.0, -3.84 out-in-in SNCoii in-in ActLoopNT-in 2.6627 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.75, 154.49 APE9-dihe-na 134.67, -169.9 APE8-dihe-in -113.48, 114.93 APE8-rot-in 316.38 APE67-dihe-in -59.93, -21.93 -40.75, -53.54 APE12-dist-in 9.8108 APE11-dist-in 11.7169 APE10-dist-in 6.295 APE9-dist-in 3.7922 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 A 301.0 289.0 8 30 27 3 [[183, 456]] 1.0 4yo6 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 4YO6B Q9NWZ3 161 459 460.0 4GD:501 Type1 Active DFGin 6.9838 14.018 BLAminus -128.18, 178.21 60.04, 83.58 -106.22, 16.8 308.81, 100.39 -62.55, -37.23 in-in in 8.3444 Saltbr-in 3.3581 HRD-in -63.56, -52.38 78.12, -4.13 in-in-in SNCiii in-in ActLoopNT-in 2.8182 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.99, 155.41 APE9-dihe-na 134.98, -169.72 APE8-dihe-in -112.68, 114.11 APE8-rot-in 315.54 APE67-dihe-in -60.97, -21.48 -39.7, -53.59 APE12-dist-in 9.9188 APE11-dist-in 11.7342 APE10-dist-in 6.2806 APE9-dist-in 3.7727 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 B 301.0 280.0 19 30 24 6 [[183, 456]] 1.0 4yo6 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 4YO6C Q9NWZ3 164 460 460.0 4GD:501 Type1 Inactive DFGin 6.9084 14.067 BLAminus -128.29, 178.22 59.78, 82.76 -103.95, 17.07 307.43, 101.27 -61.63, -37.69 in-out in 8.812 Saltbr-out 4.7022 HRD-in -64.18, -52.59 77.65, -3.55 out-in-in SNCoii in-in ActLoopNT-in 2.6722 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.3, 157.9 APE9-dihe-na 134.38, -169.38 APE8-dihe-in -113.09, 114.58 APE8-rot-in 315.5 APE67-dihe-in -61.27, -21.5 -39.75, -52.67 APE12-dist-in 9.9432 APE11-dist-in 11.7304 APE10-dist-in 6.2981 APE9-dist-in 3.7593 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 C 301.0 289.0 8 30 25 5 [[183, 456]] 1.0 4yo6 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 4YO6D Q9NWZ3 164 459 460.0 4GD:501,4GD:502 Type1,Allosteric Inactive DFGin 7.0074 13.7987 BLAminus -128.52, 178.14 61.39, 82.47 -106.01, 15.47 309.65, 100.13 -63.32, -35.07 in-out in 8.3085 Saltbr-out 4.1986 HRD-in -64.44, -53.47 79.17, -4.29 out-in-in SNCoii in-in ActLoopNT-in 2.6719 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.23, 153.2 APE9-dihe-na 136.75, -169.98 APE8-dihe-in -112.74, 114.12 APE8-rot-in 314.47 APE67-dihe-in -60.31, -19.69 -40.21, -53.83 APE12-dist-in 9.9637 APE11-dist-in 11.7421 APE10-dist-in 6.3209 APE9-dist-in 3.8609 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 D 301.0 288.0 8 30 26 4 [[183, 456]] 1.0 4yo6 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: 4YO6 — 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% 4YO6A

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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 4YO6A Q9NWZ3 163 459 460.0 4GD:501 Type1 Inactive DFGin 6.8617 13.9601 BLAminus -129.91, 177.67 60.76, 83.02 -105.78, 15.82 308.47, 100.26 -61.62, -37.54 in-out in 8.6354 Saltbr-out 3.7566 HRD-in -64.27, -52.67 78.0, -3.84 out-in-in SNCoii in-in ActLoopNT-in 2.6627 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.75, 154.49 APE9-dihe-na 134.67, -169.9 APE8-dihe-in -113.48, 114.93 APE8-rot-in 316.38 APE67-dihe-in -59.93, -21.93 -40.75, -53.54 APE12-dist-in 9.8108 APE11-dist-in 11.7169 APE10-dist-in 6.295 APE9-dist-in 3.7922 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 A 301.0 289.0 8 30 27 3 [[183, 456]] 1.0 4yo6 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 4YO6B Q9NWZ3 161 459 460.0 4GD:501 Type1 Active DFGin 6.9838 14.018 BLAminus -128.18, 178.21 60.04, 83.58 -106.22, 16.8 308.81, 100.39 -62.55, -37.23 in-in in 8.3444 Saltbr-in 3.3581 HRD-in -63.56, -52.38 78.12, -4.13 in-in-in SNCiii in-in ActLoopNT-in 2.8182 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.99, 155.41 APE9-dihe-na 134.98, -169.72 APE8-dihe-in -112.68, 114.11 APE8-rot-in 315.54 APE67-dihe-in -60.97, -21.48 -39.7, -53.59 APE12-dist-in 9.9188 APE11-dist-in 11.7342 APE10-dist-in 6.2806 APE9-dist-in 3.7727 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 B 301.0 280.0 19 30 24 6 [[183, 456]] 1.0 4yo6 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 4YO6C Q9NWZ3 164 460 460.0 4GD:501 Type1 Inactive DFGin 6.9084 14.067 BLAminus -128.29, 178.22 59.78, 82.76 -103.95, 17.07 307.43, 101.27 -61.63, -37.69 in-out in 8.812 Saltbr-out 4.7022 HRD-in -64.18, -52.59 77.65, -3.55 out-in-in SNCoii in-in ActLoopNT-in 2.6722 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.3, 157.9 APE9-dihe-na 134.38, -169.38 APE8-dihe-in -113.09, 114.58 APE8-rot-in 315.5 APE67-dihe-in -61.27, -21.5 -39.75, -52.67 APE12-dist-in 9.9432 APE11-dist-in 11.7304 APE10-dist-in 6.2981 APE9-dist-in 3.7593 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 C 301.0 289.0 8 30 25 5 [[183, 456]] 1.0 4yo6 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 4YO6D Q9NWZ3 164 459 460.0 4GD:501,4GD:502 Type1,Allosteric Inactive DFGin 7.0074 13.7987 BLAminus -128.52, 178.14 61.39, 82.47 -106.01, 15.47 309.65, 100.13 -63.32, -35.07 in-out in 8.3085 Saltbr-out 4.1986 HRD-in -64.44, -53.47 79.17, -4.29 out-in-in SNCoii in-in ActLoopNT-in 2.6719 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.23, 153.2 APE9-dihe-na 136.75, -169.98 APE8-dihe-in -112.74, 114.12 APE8-rot-in 314.47 APE67-dihe-in -60.31, -19.69 -40.21, -53.83 APE12-dist-in 9.9637 APE11-dist-in 11.7421 APE10-dist-in 6.3209 APE9-dist-in 3.8609 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.32 0.199 0.225 D 301.0 288.0 8 30 26 4 [[183, 456]] 1.0 4yo6 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: 4YO6 — 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