Ligand: WFQ

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% 8UCCA
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 8UCCA Q9NWZ3 160 459 460.0 WFQ:501 Type1 Inactive DFGin 7.0259 14.6998 BLAminus -131.7, 179.12 66.11, 75.99 -100.65, 16.62 301.91, 97.83 -63.53, -20.26 in-out in 9.3909 Saltbr-out 5.6136 HRD-in -75.53, -47.51 77.1, -4.78 out-in-in SNCoii in-in ActLoopNT-in 2.6824 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.27, 158.69 APE9-dihe-na 128.46, -168.51 APE8-dihe-in -116.14, 113.09 APE8-rot-in 308.41 APE67-dihe-in -66.69, -15.41 -48.67, -44.93 APE12-dist-in 10.0268 APE11-dist-in 11.9409 APE10-dist-in 6.614 APE9-dist-in 4.0809 None TPO345,SEP346 TPO345,SEP346 XRAY 1.8 0.21 0.24 A 307.0 295.0 5 30 25 5 [[183, 456]] 1.0 8ucc TKL_IRAK4_HUMAN TKL 4.4e-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 8UCCB Q9NWZ3 164 458 460.0 WFQ:501 Type1 Inactive DFGin 6.8793 13.8721 BLAminus -129.51, 162.92 70.33, 79.94 -104.55, 23.09 318.21, 95.61 -62.87, -26.0 in-out in 8.7684 Saltbr-out 6.0166 HRD-in -75.0, -48.09 77.72, -4.06 out-in-in SNCoii in-in ActLoopNT-in 2.7395 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.42, 156.86 APE9-dihe-na 134.29, 179.4 APE8-dihe-in -111.9, 115.53 APE8-rot-in 300.81 APE67-dihe-in -63.49, -15.46 -50.92, -46.75 APE12-dist-in 9.9358 APE11-dist-in 11.9321 APE10-dist-in 6.4043 APE9-dist-in 3.8041 None TPO345 TPO345 XRAY 1.8 0.21 0.24 B 307.0 286.0 9 30 25 5 [[183, 456]] 1.0 8ucc TKL_IRAK4_HUMAN TKL 4.4e-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: WFQ

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% 8UCCA
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 8UCCA Q9NWZ3 160 459 460.0 WFQ:501 Type1 Inactive DFGin 7.0259 14.6998 BLAminus -131.7, 179.12 66.11, 75.99 -100.65, 16.62 301.91, 97.83 -63.53, -20.26 in-out in 9.3909 Saltbr-out 5.6136 HRD-in -75.53, -47.51 77.1, -4.78 out-in-in SNCoii in-in ActLoopNT-in 2.6824 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.27, 158.69 APE9-dihe-na 128.46, -168.51 APE8-dihe-in -116.14, 113.09 APE8-rot-in 308.41 APE67-dihe-in -66.69, -15.41 -48.67, -44.93 APE12-dist-in 10.0268 APE11-dist-in 11.9409 APE10-dist-in 6.614 APE9-dist-in 4.0809 None TPO345,SEP346 TPO345,SEP346 XRAY 1.8 0.21 0.24 A 307.0 295.0 5 30 25 5 [[183, 456]] 1.0 8ucc Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-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 8UCCB Q9NWZ3 164 458 460.0 WFQ:501 Type1 Inactive DFGin 6.8793 13.8721 BLAminus -129.51, 162.92 70.33, 79.94 -104.55, 23.09 318.21, 95.61 -62.87, -26.0 in-out in 8.7684 Saltbr-out 6.0166 HRD-in -75.0, -48.09 77.72, -4.06 out-in-in SNCoii in-in ActLoopNT-in 2.7395 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.42, 156.86 APE9-dihe-na 134.29, 179.4 APE8-dihe-in -111.9, 115.53 APE8-rot-in 300.81 APE67-dihe-in -63.49, -15.46 -50.92, -46.75 APE12-dist-in 9.9358 APE11-dist-in 11.9321 APE10-dist-in 6.4043 APE9-dist-in 3.8041 None TPO345 TPO345 XRAY 1.8 0.21 0.24 B 307.0 286.0 9 30 25 5 [[183, 456]] 1.0 8ucc Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-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: WFQ

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