Ligand: A1BWY

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9NA5A
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 9NA5A Q9NWZ3 162 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.8573 13.7953 BLAminus -133.26, 171.01 69.04, 85.7 -105.99, 16.7 310.03, 99.89 -62.7, -22.3 in-out in 8.8572 Saltbr-out 4.4238 HRD-in -75.21, -50.97 79.25, -1.48 out-in-in SNCoii in-in ActLoopNT-in 2.6791 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.97, 159.53 APE9-dihe-na 136.23, -177.51 APE8-dihe-in -108.28, 116.32 APE8-rot-in 306.12 APE67-dihe-in -69.45, -13.91 -54.86, -39.45 APE12-dist-in 10.4537 APE11-dist-in 11.8359 APE10-dist-in 6.49 APE9-dist-in 3.958 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 A 304.0 291.0 6 30 26 4 [[183, 456]] 1.0 9na5 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 9NA5B Q9NWZ3 165 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.876 13.9226 BLAminus -130.74, 172.07 71.17, 82.18 -107.01, 16.94 308.3, 95.76 -65.86, -22.74 in-out in 8.8818 Saltbr-out 4.1971 HRD-in -71.92, -49.38 75.44, -3.18 out-in-in SNCoii in-in ActLoopNT-in 2.6831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.98, 162.05 APE9-dihe-na 124.64, -175.69 APE8-dihe-in -110.28, 114.32 APE8-rot-in 308.49 APE67-dihe-in -65.45, -14.65 -45.32, -47.37 APE12-dist-in 10.2616 APE11-dist-in 12.1034 APE10-dist-in 6.6156 APE9-dist-in 4.2001 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 B 304.0 284.0 10 30 26 4 [[183, 456]] 1.0 9na5 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 9NA5C Q9NWZ3 161 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.8473 13.8139 BLAminus -130.66, 174.72 69.96, 81.61 -104.57, 15.46 307.74, 101.68 -63.81, -23.82 in-out in 8.9007 Saltbr-out 5.866 HRD-in -74.06, -49.12 75.91, 0.34 out-in-in SNCoii in-in ActLoopNT-in 2.6928 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.19, 157.89 APE9-dihe-na 134.71, -176.93 APE8-dihe-in -111.25, 115.39 APE8-rot-in 313.06 APE67-dihe-in -67.61, -11.6 -53.8, -44.56 APE12-dist-in 10.3174 APE11-dist-in 11.8345 APE10-dist-in 6.4403 APE9-dist-in 4.0253 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 C 304.0 291.0 7 30 25 5 [[183, 456]] 1.0 9na5 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 9NA5D Q9NWZ3 164 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.9561 13.9047 BLAminus -133.93, 172.24 67.87, 81.49 -104.77, 16.45 307.07, 100.09 -65.52, -27.63 in-out in 8.6953 Saltbr-out 4.3303 HRD-in -70.04, -49.46 77.38, -3.43 out-in-in SNCoii in-in ActLoopNT-in 2.7008 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.14, 158.61 APE9-dihe-na 129.07, -176.96 APE8-dihe-in -107.72, 113.83 APE8-rot-in 313.13 APE67-dihe-in -66.94, -16.69 -45.61, -45.94 APE12-dist-in 10.2273 APE11-dist-in 12.0281 APE10-dist-in 6.5641 APE9-dist-in 4.0674 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 D 304.0 285.0 10 30 26 4 [[183, 456]] 1.0 9na5 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: A1BWY

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9NA5A
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 9NA5A Q9NWZ3 162 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.8573 13.7953 BLAminus -133.26, 171.01 69.04, 85.7 -105.99, 16.7 310.03, 99.89 -62.7, -22.3 in-out in 8.8572 Saltbr-out 4.4238 HRD-in -75.21, -50.97 79.25, -1.48 out-in-in SNCoii in-in ActLoopNT-in 2.6791 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.97, 159.53 APE9-dihe-na 136.23, -177.51 APE8-dihe-in -108.28, 116.32 APE8-rot-in 306.12 APE67-dihe-in -69.45, -13.91 -54.86, -39.45 APE12-dist-in 10.4537 APE11-dist-in 11.8359 APE10-dist-in 6.49 APE9-dist-in 3.958 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 A 304.0 291.0 6 30 26 4 [[183, 456]] 1.0 9na5 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 9NA5B Q9NWZ3 165 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.876 13.9226 BLAminus -130.74, 172.07 71.17, 82.18 -107.01, 16.94 308.3, 95.76 -65.86, -22.74 in-out in 8.8818 Saltbr-out 4.1971 HRD-in -71.92, -49.38 75.44, -3.18 out-in-in SNCoii in-in ActLoopNT-in 2.6831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.98, 162.05 APE9-dihe-na 124.64, -175.69 APE8-dihe-in -110.28, 114.32 APE8-rot-in 308.49 APE67-dihe-in -65.45, -14.65 -45.32, -47.37 APE12-dist-in 10.2616 APE11-dist-in 12.1034 APE10-dist-in 6.6156 APE9-dist-in 4.2001 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 B 304.0 284.0 10 30 26 4 [[183, 456]] 1.0 9na5 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 9NA5C Q9NWZ3 161 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.8473 13.8139 BLAminus -130.66, 174.72 69.96, 81.61 -104.57, 15.46 307.74, 101.68 -63.81, -23.82 in-out in 8.9007 Saltbr-out 5.866 HRD-in -74.06, -49.12 75.91, 0.34 out-in-in SNCoii in-in ActLoopNT-in 2.6928 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.19, 157.89 APE9-dihe-na 134.71, -176.93 APE8-dihe-in -111.25, 115.39 APE8-rot-in 313.06 APE67-dihe-in -67.61, -11.6 -53.8, -44.56 APE12-dist-in 10.3174 APE11-dist-in 11.8345 APE10-dist-in 6.4403 APE9-dist-in 4.0253 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 C 304.0 291.0 7 30 25 5 [[183, 456]] 1.0 9na5 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 9NA5D Q9NWZ3 164 458 460.0 A1BWY:501 Type1 Inactive DFGin 6.9561 13.9047 BLAminus -133.93, 172.24 67.87, 81.49 -104.77, 16.45 307.07, 100.09 -65.52, -27.63 in-out in 8.6953 Saltbr-out 4.3303 HRD-in -70.04, -49.46 77.38, -3.43 out-in-in SNCoii in-in ActLoopNT-in 2.7008 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.14, 158.61 APE9-dihe-na 129.07, -176.96 APE8-dihe-in -107.72, 113.83 APE8-rot-in 313.13 APE67-dihe-in -66.94, -16.69 -45.61, -45.94 APE12-dist-in 10.2273 APE11-dist-in 12.0281 APE10-dist-in 6.5641 APE9-dist-in 4.0674 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.73 0.19 0.227 D 304.0 285.0 10 30 26 4 [[183, 456]] 1.0 9na5 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: A1BWY

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