Ligand: 9YS

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% 5W85A
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 5W85A Q9NWZ3 164 458 460.0 9YS:4000 Type1 Inactive DFGin 6.813 14.8006 BLAminus -119.69, 174.7 62.24, 92.17 -111.46, 11.32 305.63, 96.72 -63.25, -31.58 in-out in 8.9015 Saltbr-out 6.0751 HRD-in -63.97, -52.63 78.83, -4.43 out-in-in SNCoii in-in ActLoopNT-in 2.712 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.53, 155.64 APE9-dihe-na 132.02, -173.09 APE8-dihe-in -113.06, 114.4 APE8-rot-in 314.94 APE67-dihe-in -58.27, -22.42 -43.08, -51.51 APE12-dist-in 10.7433 APE11-dist-in 11.6775 APE10-dist-in 6.2108 APE9-dist-in 3.7715 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.25 0.227 0.251 A 305.0 281.0 14 30 25 5 [[183, 456]] 1.0 5w85 TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 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 5W85B Q9NWZ3 164 459 460.0 9YS:4000 Type1 Inactive DFGin 6.7637 14.8223 BLAminus -118.77, 174.95 63.48, 91.76 -111.27, 11.84 305.7, 96.65 -62.41, -32.37 in-out in 8.9394 Saltbr-out 6.4178 HRD-in -63.31, -52.79 78.17, -3.31 out-in-in SNCoii in-in ActLoopNT-in 2.711 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.8, 156.56 APE9-dihe-na 131.61, -171.93 APE8-dihe-in -111.44, 113.82 APE8-rot-in 314.64 APE67-dihe-in -58.18, -22.16 -43.05, -51.43 APE12-dist-in 10.6394 APE11-dist-in 11.7542 APE10-dist-in 6.2542 APE9-dist-in 3.7207 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.25 0.227 0.251 B 305.0 282.0 14 30 26 4 [[183, 456]] 1.0 5w85 TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 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: 9YS

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% 5W85A
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 5W85A Q9NWZ3 164 458 460.0 9YS:4000 Type1 Inactive DFGin 6.813 14.8006 BLAminus -119.69, 174.7 62.24, 92.17 -111.46, 11.32 305.63, 96.72 -63.25, -31.58 in-out in 8.9015 Saltbr-out 6.0751 HRD-in -63.97, -52.63 78.83, -4.43 out-in-in SNCoii in-in ActLoopNT-in 2.712 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.53, 155.64 APE9-dihe-na 132.02, -173.09 APE8-dihe-in -113.06, 114.4 APE8-rot-in 314.94 APE67-dihe-in -58.27, -22.42 -43.08, -51.51 APE12-dist-in 10.7433 APE11-dist-in 11.6775 APE10-dist-in 6.2108 APE9-dist-in 3.7715 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.25 0.227 0.251 A 305.0 281.0 14 30 25 5 [[183, 456]] 1.0 5w85 Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 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 5W85B Q9NWZ3 164 459 460.0 9YS:4000 Type1 Inactive DFGin 6.7637 14.8223 BLAminus -118.77, 174.95 63.48, 91.76 -111.27, 11.84 305.7, 96.65 -62.41, -32.37 in-out in 8.9394 Saltbr-out 6.4178 HRD-in -63.31, -52.79 78.17, -3.31 out-in-in SNCoii in-in ActLoopNT-in 2.711 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.8, 156.56 APE9-dihe-na 131.61, -171.93 APE8-dihe-in -111.44, 113.82 APE8-rot-in 314.64 APE67-dihe-in -58.18, -22.16 -43.05, -51.43 APE12-dist-in 10.6394 APE11-dist-in 11.7542 APE10-dist-in 6.2542 APE9-dist-in 3.7207 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.25 0.227 0.251 B 305.0 282.0 14 30 26 4 [[183, 456]] 1.0 5w85 Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-84 288.1 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: 9YS

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