Ligand: R6I

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% 8BR6AAA
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 8BR6AAA Q9NWZ3 165 459 460.0 R6I:1001 Type1 Inactive DFGin 6.9174 13.8173 BLAminus -129.66, 170.0 69.62, 98.1 -122.85, 19.7 306.96, 88.76 -58.16, -37.07 in-out in 8.8089 Saltbr-out 7.4707 HRD-in -72.91, -58.78 84.26, 5.42 out-in-in SNCoii in-in ActLoopNT-in 2.7532 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.53, 152.76 APE9-dihe-na 145.18, -171.68 APE8-dihe-in -111.26, 112.24 APE8-rot-in 315.6 APE67-dihe-in -61.85, -25.79 -58.99, -34.36 APE12-dist-in 9.9925 APE11-dist-in 11.9713 APE10-dist-in 6.8577 APE9-dist-in 3.9736 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.167 0.215 0.251 AAA 298.0 288.0 7 30 23 7 [[183, 456]] 1.0 8br6 TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 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 8BR6BBB Q9NWZ3 165 459 460.0 R6I:1001 Type1 Inactive DFGin 7.2141 14.1156 BLAminus -122.04, 169.11 67.87, 99.68 -120.93, 27.62 310.0, 104.06 -68.88, -33.21 in-out in 9.2138 Saltbr-out 4.1674 HRD-in -70.69, -55.19 81.72, -1.09 out-in-in SNCoii in-in ActLoopNT-in 3.038 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.8, 91.66 APE9-dihe-na -148.3, -158.25 APE8-dihe-in -114.14, 110.31 APE8-rot-in 308.07 APE67-dihe-in -68.26, -15.15 -42.56, -51.42 APE12-dist-in 10.1107 APE11-dist-in 11.7081 APE10-dist-in 6.6862 APE9-dist-in 3.8899 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.167 0.215 0.251 BBB 298.0 278.0 17 30 24 6 [[183, 456]] 1.0 8br6 TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 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: R6I

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% 8BR6AAA
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 8BR6AAA Q9NWZ3 165 459 460.0 R6I:1001 Type1 Inactive DFGin 6.9174 13.8173 BLAminus -129.66, 170.0 69.62, 98.1 -122.85, 19.7 306.96, 88.76 -58.16, -37.07 in-out in 8.8089 Saltbr-out 7.4707 HRD-in -72.91, -58.78 84.26, 5.42 out-in-in SNCoii in-in ActLoopNT-in 2.7532 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.53, 152.76 APE9-dihe-na 145.18, -171.68 APE8-dihe-in -111.26, 112.24 APE8-rot-in 315.6 APE67-dihe-in -61.85, -25.79 -58.99, -34.36 APE12-dist-in 9.9925 APE11-dist-in 11.9713 APE10-dist-in 6.8577 APE9-dist-in 3.9736 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.167 0.215 0.251 AAA 298.0 288.0 7 30 23 7 [[183, 456]] 1.0 8br6 Homo sapiens TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 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 8BR6BBB Q9NWZ3 165 459 460.0 R6I:1001 Type1 Inactive DFGin 7.2141 14.1156 BLAminus -122.04, 169.11 67.87, 99.68 -120.93, 27.62 310.0, 104.06 -68.88, -33.21 in-out in 9.2138 Saltbr-out 4.1674 HRD-in -70.69, -55.19 81.72, -1.09 out-in-in SNCoii in-in ActLoopNT-in 3.038 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.8, 91.66 APE9-dihe-na -148.3, -158.25 APE8-dihe-in -114.14, 110.31 APE8-rot-in 308.07 APE67-dihe-in -68.26, -15.15 -42.56, -51.42 APE12-dist-in 10.1107 APE11-dist-in 11.7081 APE10-dist-in 6.6862 APE9-dist-in 3.8899 K400A,E401A,E402A TPO345,SEP346 TPO345,SEP346 XRAY 2.167 0.215 0.251 BBB 298.0 278.0 17 30 24 6 [[183, 456]] 1.0 8br6 Homo sapiens TKL_IRAK4_HUMAN TKL 1.3e-83 286.6 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: R6I

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