Ligand: LSV

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% 6O95D
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 6O95A Q9NWZ3 162 459 460.0 LSV:502 Type1 Inactive DFGin 6.5143 14.1644 BLAminus -124.69, 178.36 63.9, 85.02 -104.54, 7.03 304.14, 94.6 -57.19, -35.8 in-out in 8.8719 Saltbr-out 4.6326 HRD-in -66.91, -51.29 74.49, -0.76 out-in-in SNCoii in-in ActLoopNT-in 2.8041 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.02, 155.29 APE9-dihe-na 132.54, -175.83 APE8-dihe-in -104.27, 113.04 APE8-rot-in 302.9 APE67-dihe-in -57.84, -19.71 -40.16, -52.66 APE12-dist-in 10.0524 APE11-dist-in 12.0481 APE10-dist-in 6.8824 APE9-dist-in 4.3628 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 A 320.0 291.0 7 30 25 5 [[183, 456]] 1.0 6o95 TKL_IRAK4_HUMAN TKL 5.1e-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 6O95B Q9NWZ3 163 458 460.0 LSV:501 Type1 Inactive DFGin 7.047 13.9336 BLAminus -128.69, 178.37 64.78, 86.4 -106.95, 10.27 304.55, 103.52 -56.04, -36.05 in-out in 8.6869 Saltbr-out 5.348 HRD-in -68.16, -49.56 73.95, -1.69 out-in-in SNCoii in-in ActLoopNT-in 2.8208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.52, 156.12 APE9-dihe-na 128.25, -179.73 APE8-dihe-in -105.09, 111.99 APE8-rot-in 310.32 APE67-dihe-in -60.91, -16.95 -44.72, -45.17 APE12-dist-in 10.1353 APE11-dist-in 12.0602 APE10-dist-in 6.4328 APE9-dist-in 4.0004 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 B 320.0 279.0 17 30 25 5 [[183, 456]] 1.0 6o95 TKL_IRAK4_HUMAN TKL 5.1e-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 6O95C Q9NWZ3 165 458 460.0 LSV:501 Type1 Inactive DFGin 6.9177 13.9296 BLAminus -128.33, 177.09 66.35, 90.72 -113.17, 15.76 309.56, 95.89 -60.57, -32.1 in-out in 8.9463 Saltbr-out 4.8251 HRD-in -67.67, -54.03 77.11, 0.43 out-in-in SNCoii in-in ActLoopNT-in 2.8077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.77, 148.25 APE9-dihe-na 141.05, -171.27 APE8-dihe-in -106.42, 112.41 APE8-rot-in 303.07 APE67-dihe-in -59.27, -17.89 -44.67, -47.52 APE12-dist-in 10.0305 APE11-dist-in 12.0003 APE10-dist-in 7.1669 APE9-dist-in 4.8503 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 C 320.0 286.0 8 30 25 5 [[183, 456]] 1.0 6o95 TKL_IRAK4_HUMAN TKL 5.1e-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 6O95D Q9NWZ3 161 458 460.0 LSV:503 Type1 Inactive DFGin 6.7141 13.781 BLAminus -126.14, -178.81 60.46, 90.73 -111.09, 9.64 304.76, 99.65 -59.01, -30.48 in-out in 8.9078 Saltbr-out 4.9695 HRD-in -67.54, -51.97 72.39, 2.38 out-in-in SNCoii in-in ActLoopNT-in 2.8137 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.99, 146.99 APE9-dihe-na 137.73, 178.81 APE8-dihe-in -100.23, 111.63 APE8-rot-in 301.88 APE67-dihe-in -63.03, -17.06 -59.78, -27.35 APE12-dist-in 10.1677 APE11-dist-in 11.9475 APE10-dist-in 6.7267 APE9-dist-in 4.7161 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 D 320.0 292.0 6 30 24 6 [[183, 456]] 1.0 6o95 TKL_IRAK4_HUMAN TKL 5.1e-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: LSV

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% 6O95D
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 6O95A Q9NWZ3 162 459 460.0 LSV:502 Type1 Inactive DFGin 6.5143 14.1644 BLAminus -124.69, 178.36 63.9, 85.02 -104.54, 7.03 304.14, 94.6 -57.19, -35.8 in-out in 8.8719 Saltbr-out 4.6326 HRD-in -66.91, -51.29 74.49, -0.76 out-in-in SNCoii in-in ActLoopNT-in 2.8041 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.02, 155.29 APE9-dihe-na 132.54, -175.83 APE8-dihe-in -104.27, 113.04 APE8-rot-in 302.9 APE67-dihe-in -57.84, -19.71 -40.16, -52.66 APE12-dist-in 10.0524 APE11-dist-in 12.0481 APE10-dist-in 6.8824 APE9-dist-in 4.3628 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 A 320.0 291.0 7 30 25 5 [[183, 456]] 1.0 6o95 Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-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 6O95B Q9NWZ3 163 458 460.0 LSV:501 Type1 Inactive DFGin 7.047 13.9336 BLAminus -128.69, 178.37 64.78, 86.4 -106.95, 10.27 304.55, 103.52 -56.04, -36.05 in-out in 8.6869 Saltbr-out 5.348 HRD-in -68.16, -49.56 73.95, -1.69 out-in-in SNCoii in-in ActLoopNT-in 2.8208 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.52, 156.12 APE9-dihe-na 128.25, -179.73 APE8-dihe-in -105.09, 111.99 APE8-rot-in 310.32 APE67-dihe-in -60.91, -16.95 -44.72, -45.17 APE12-dist-in 10.1353 APE11-dist-in 12.0602 APE10-dist-in 6.4328 APE9-dist-in 4.0004 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 B 320.0 279.0 17 30 25 5 [[183, 456]] 1.0 6o95 Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-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 6O95C Q9NWZ3 165 458 460.0 LSV:501 Type1 Inactive DFGin 6.9177 13.9296 BLAminus -128.33, 177.09 66.35, 90.72 -113.17, 15.76 309.56, 95.89 -60.57, -32.1 in-out in 8.9463 Saltbr-out 4.8251 HRD-in -67.67, -54.03 77.11, 0.43 out-in-in SNCoii in-in ActLoopNT-in 2.8077 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.77, 148.25 APE9-dihe-na 141.05, -171.27 APE8-dihe-in -106.42, 112.41 APE8-rot-in 303.07 APE67-dihe-in -59.27, -17.89 -44.67, -47.52 APE12-dist-in 10.0305 APE11-dist-in 12.0003 APE10-dist-in 7.1669 APE9-dist-in 4.8503 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 C 320.0 286.0 8 30 25 5 [[183, 456]] 1.0 6o95 Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-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 6O95D Q9NWZ3 161 458 460.0 LSV:503 Type1 Inactive DFGin 6.7141 13.781 BLAminus -126.14, -178.81 60.46, 90.73 -111.09, 9.64 304.76, 99.65 -59.01, -30.48 in-out in 8.9078 Saltbr-out 4.9695 HRD-in -67.54, -51.97 72.39, 2.38 out-in-in SNCoii in-in ActLoopNT-in 2.8137 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.99, 146.99 APE9-dihe-na 137.73, 178.81 APE8-dihe-in -100.23, 111.63 APE8-rot-in 301.88 APE67-dihe-in -63.03, -17.06 -59.78, -27.35 APE12-dist-in 10.1677 APE11-dist-in 11.9475 APE10-dist-in 6.7267 APE9-dist-in 4.7161 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.77 0.19 0.217 D 320.0 292.0 6 30 24 6 [[183, 456]] 1.0 6o95 Homo sapiens TKL_IRAK4_HUMAN TKL 5.1e-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: LSV

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