Ligand: 8BY

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% 5UIRB
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 5UIRA Q9NWZ3 165 458 460.0 8BY:800 Type1 Inactive DFGin 6.9354 14.1138 BLAminus -136.3, 170.5 69.87, 91.85 -112.04, 22.11 309.32, 96.71 -72.39, -36.2 in-out in 8.9664 Saltbr-out 3.7468 HRD-in -63.83, -51.01 78.63, 2.17 out-in-in SNCoii in-in ActLoopNT-in 2.7969 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.87, 150.35 APE9-dihe-na 136.71, -173.51 APE8-dihe-in -100.71, 112.33 APE8-rot-in 315.74 APE67-dihe-in -65.12, -20.89 -48.07, -45.69 APE12-dist-in 9.847 APE11-dist-in 11.5689 APE10-dist-in 6.4183 APE9-dist-in 4.3194 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.64 0.222 0.277 A 323.0 272.0 22 30 22 8 [[183, 456]] 1.0 5uir TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 5UIRB Q9NWZ3 164 458 460.0 8BY:801 Type1 Inactive DFGin 6.9002 14.2024 BLAminus -136.36, 170.65 70.05, 91.83 -112.72, 22.02 309.43, 96.93 -72.89, -36.25 in-out in 8.8243 Saltbr-out 3.616 HRD-in -62.53, -51.23 78.89, 1.88 out-in-in SNCoii in-in ActLoopNT-in 2.7897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.66, 150.06 APE9-dihe-na 137.27, -173.33 APE8-dihe-in -99.83, 112.61 APE8-rot-in 313.76 APE67-dihe-in -66.01, -19.75 -48.02, -45.39 APE12-dist-in 9.8686 APE11-dist-in 11.6908 APE10-dist-in 6.4823 APE9-dist-in 4.2738 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.64 0.222 0.277 B 323.0 276.0 19 30 25 5 [[183, 456]] 1.0 5uir TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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: 8BY

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% 5UIRB
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 5UIRA Q9NWZ3 165 458 460.0 8BY:800 Type1 Inactive DFGin 6.9354 14.1138 BLAminus -136.3, 170.5 69.87, 91.85 -112.04, 22.11 309.32, 96.71 -72.39, -36.2 in-out in 8.9664 Saltbr-out 3.7468 HRD-in -63.83, -51.01 78.63, 2.17 out-in-in SNCoii in-in ActLoopNT-in 2.7969 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.87, 150.35 APE9-dihe-na 136.71, -173.51 APE8-dihe-in -100.71, 112.33 APE8-rot-in 315.74 APE67-dihe-in -65.12, -20.89 -48.07, -45.69 APE12-dist-in 9.847 APE11-dist-in 11.5689 APE10-dist-in 6.4183 APE9-dist-in 4.3194 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.64 0.222 0.277 A 323.0 272.0 22 30 22 8 [[183, 456]] 1.0 5uir Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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 5UIRB Q9NWZ3 164 458 460.0 8BY:801 Type1 Inactive DFGin 6.9002 14.2024 BLAminus -136.36, 170.65 70.05, 91.83 -112.72, 22.02 309.43, 96.93 -72.89, -36.25 in-out in 8.8243 Saltbr-out 3.616 HRD-in -62.53, -51.23 78.89, 1.88 out-in-in SNCoii in-in ActLoopNT-in 2.7897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.66, 150.06 APE9-dihe-na 137.27, -173.33 APE8-dihe-in -99.83, 112.61 APE8-rot-in 313.76 APE67-dihe-in -66.01, -19.75 -48.02, -45.39 APE12-dist-in 9.8686 APE11-dist-in 11.6908 APE10-dist-in 6.4823 APE9-dist-in 4.2738 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.64 0.222 0.277 B 323.0 276.0 19 30 25 5 [[183, 456]] 1.0 5uir Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 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: 8BY

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