Ligand: A1BW0

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% 9NA2A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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 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 9NA2A Q9NWZ3 164 458 460.0 A1BW0:501 Type1 Inactive DFGin 6.8477 13.7307 BLAminus -129.5, 174.15 76.19, 82.37 -109.93, 12.46 306.46, 102.0 -68.06, -20.21 in-out in 8.946 Saltbr-out 6.2888 HRD-in -77.12, -53.15 78.59, 0.07 out-in-in SNCoii in-in ActLoopNT-in 2.704 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.31, 156.05 APE9-dihe-na 126.63, -176.29 APE8-dihe-in -108.96, 120.82 APE8-rot-in 296.98 APE67-dihe-in -64.68, -11.03 -61.41, -36.62 APE12-dist-in 9.905 APE11-dist-in 11.9527 APE10-dist-in 6.5317 APE9-dist-in 4.4021 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.99 0.206 0.246 A 304.0 293.0 2 30 28 2 [[183, 456]] 1.0 9na2 TKL_IRAK4_HUMAN TKL 4.2e-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 9NA2B Q9NWZ3 165 458 460.0 A1BW0:501 Type1 Inactive DFGin 6.9241 14.1302 BLAminus -134.63, 174.5 75.73, 83.38 -111.23, 11.86 301.94, 95.06 -63.77, -21.44 in-out in 8.971 Saltbr-out 6.13 HRD-in -76.54, -51.75 76.66, 1.42 out-in-in SNCoii in-in ActLoopNT-in 2.6237 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.09, 160.31 APE9-dihe-na 114.91, -171.81 APE8-dihe-in -114.31, 117.82 APE8-rot-in 292.46 APE67-dihe-in -63.01, -16.36 -51.36, -43.64 APE12-dist-in 10.1486 APE11-dist-in 11.9934 APE10-dist-in 6.6007 APE9-dist-in 4.4889 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.99 0.206 0.246 B 304.0 287.0 7 30 25 5 [[183, 456]] 1.0 9na2 TKL_IRAK4_HUMAN TKL 4.2e-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

Ligand: A1BW0

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% 9NA2A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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
TKL IRAK4 IRAK4_HUMAN 9NA2A Q9NWZ3 164 458 460.0 A1BW0:501 Type1 Inactive DFGin 6.8477 13.7307 BLAminus -129.5, 174.15 76.19, 82.37 -109.93, 12.46 306.46, 102.0 -68.06, -20.21 in-out in 8.946 Saltbr-out 6.2888 HRD-in -77.12, -53.15 78.59, 0.07 out-in-in SNCoii in-in ActLoopNT-in 2.704 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.31, 156.05 APE9-dihe-na 126.63, -176.29 APE8-dihe-in -108.96, 120.82 APE8-rot-in 296.98 APE67-dihe-in -64.68, -11.03 -61.41, -36.62 APE12-dist-in 9.905 APE11-dist-in 11.9527 APE10-dist-in 6.5317 APE9-dist-in 4.4021 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.99 0.206 0.246 A 304.0 293.0 2 30 28 2 [[183, 456]] 1.0 9na2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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 9NA2B Q9NWZ3 165 458 460.0 A1BW0:501 Type1 Inactive DFGin 6.9241 14.1302 BLAminus -134.63, 174.5 75.73, 83.38 -111.23, 11.86 301.94, 95.06 -63.77, -21.44 in-out in 8.971 Saltbr-out 6.13 HRD-in -76.54, -51.75 76.66, 1.42 out-in-in SNCoii in-in ActLoopNT-in 2.6237 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.09, 160.31 APE9-dihe-na 114.91, -171.81 APE8-dihe-in -114.31, 117.82 APE8-rot-in 292.46 APE67-dihe-in -63.01, -16.36 -51.36, -43.64 APE12-dist-in 10.1486 APE11-dist-in 11.9934 APE10-dist-in 6.6007 APE9-dist-in 4.4889 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.99 0.206 0.246 B 304.0 287.0 7 30 25 5 [[183, 456]] 1.0 9na2 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-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

Ligand: A1BW0

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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