Ligand: O06

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8ATNBBB

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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 8ATNAAA Q9NWZ3 165 459 460.0 O06:1001 Type1 Inactive DFGin 6.724 14.208 BLAminus -117.77, 176.24 64.77, 96.31 -125.83, 10.5 313.57, 103.82 -69.05, -5.63 in-out in 8.632 Saltbr-out 4.565 HRD-in -69.73, -51.11 77.51, -5.14 out-in-in SNCoii in-in ActLoopNT-in 2.839 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.0, 157.33 APE9-dihe-na 133.5, -162.12 APE8-dihe-in -121.39, 112.47 APE8-rot-in 318.21 APE67-dihe-in -71.32, -7.35 -41.66, -51.09 APE12-dist-in 9.902 APE11-dist-in 12.047 APE10-dist-in 7.069 APE9-dist-in 3.859 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.171 0.242 0.306 AAA 298 282 13 0 0 5 [[183, 456]] 1.0 8atn TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8ATNBBB Q9NWZ3 165 459 460.0 O06:1001 Type1 Inactive DFGin 6.47 14.024 BLAminus -130.98, 162.78 71.1, 84.67 -104.49, 21.53 314.64, 81.97 -66.59, -34.68 in-out in 8.52 Saltbr-out 5.339 HRD-in -69.18, -52.19 77.12, 4.45 out-in-in SNCoii in-in ActLoopNT-in 2.6 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.72, 153.2 APE9-dihe-na 145.05, 176.75 APE8-dihe-in -102.56, 117.31 APE8-rot-in 320.99 APE67-dihe-in -62.43, -13.54 -50.51, -47.21 APE12-dist-in 9.736 APE11-dist-in 11.513 APE10-dist-in 6.445 APE9-dist-in 4.101 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.171 0.242 0.306 BBB 298 286 9 0 0 3 [[183, 456]] 1.0 8atn TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: O06

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8ATNBBB

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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 8ATNAAA Q9NWZ3 165 459 460.0 O06:1001 Type1 Inactive DFGin 6.724 14.208 BLAminus -117.77, 176.24 64.77, 96.31 -125.83, 10.5 313.57, 103.82 -69.05, -5.63 in-out in 8.632 Saltbr-out 4.565 HRD-in -69.73, -51.11 77.51, -5.14 out-in-in SNCoii in-in ActLoopNT-in 2.839 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -161.0, 157.33 APE9-dihe-na 133.5, -162.12 APE8-dihe-in -121.39, 112.47 APE8-rot-in 318.21 APE67-dihe-in -71.32, -7.35 -41.66, -51.09 APE12-dist-in 9.902 APE11-dist-in 12.047 APE10-dist-in 7.069 APE9-dist-in 3.859 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.171 0.242 0.306 AAA 298 282 13 0 0 5 [[183, 456]] 1.0 8atn Homo sapiens TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 8ATNBBB Q9NWZ3 165 459 460.0 O06:1001 Type1 Inactive DFGin 6.47 14.024 BLAminus -130.98, 162.78 71.1, 84.67 -104.49, 21.53 314.64, 81.97 -66.59, -34.68 in-out in 8.52 Saltbr-out 5.339 HRD-in -69.18, -52.19 77.12, 4.45 out-in-in SNCoii in-in ActLoopNT-in 2.6 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.72, 153.2 APE9-dihe-na 145.05, 176.75 APE8-dihe-in -102.56, 117.31 APE8-rot-in 320.99 APE67-dihe-in -62.43, -13.54 -50.51, -47.21 APE12-dist-in 9.736 APE11-dist-in 11.513 APE10-dist-in 6.445 APE9-dist-in 4.101 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.171 0.242 0.306 BBB 298 286 9 0 0 3 [[183, 456]] 1.0 8atn Homo sapiens TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: O06

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

Hover over column headers for tooltip help

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