Ligand: A1AFH

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% 8W3XC
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 8W3XA Q9NWZ3 162 460 460.0 A1AFH:501 Type1 Inactive DFGin 6.7631 14.0864 BLAminus -129.8, 175.53 62.33, 85.97 -101.36, 14.33 304.54, 100.12 -62.52, -27.4 in-out in 8.8657 Saltbr-out 4.4893 HRD-in -68.21, -49.93 76.52, -2.3 out-in-in SNCoii in-in ActLoopNT-in 2.8548 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.65, 160.15 APE9-dihe-na 133.09, -174.82 APE8-dihe-in -108.97, 112.7 APE8-rot-in 305.97 APE67-dihe-in -63.54, -15.82 -41.12, -50.5 APE12-dist-in 9.9893 APE11-dist-in 11.7283 APE10-dist-in 6.3538 APE9-dist-in 3.8624 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 A 323.0 289.0 10 30 25 5 [[183, 456]] 1.0 8w3x TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XB Q9NWZ3 162 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.7194 14.083 BLAminus -131.86, 175.94 61.72, 86.86 -102.91, 14.0 304.56, 100.34 -62.32, -27.57 in-out in 8.8165 Saltbr-out 4.434 HRD-in -69.04, -50.02 77.17, -2.0 out-in-in SNCoii in-in ActLoopNT-in 2.8469 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.36, 162.06 APE9-dihe-na 132.25, -173.81 APE8-dihe-in -109.37, 111.4 APE8-rot-in 305.14 APE67-dihe-in -62.67, -15.91 -40.92, -50.44 APE12-dist-in 10.0144 APE11-dist-in 11.7727 APE10-dist-in 6.3777 APE9-dist-in 3.7844 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 B 323.0 289.0 9 30 25 5 [[183, 456]] 1.0 8w3x TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XC Q9NWZ3 164 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.9712 14.0541 BLAminus -133.25, 171.05 66.34, 84.83 -102.34, 14.62 305.45, 100.45 -62.92, -27.96 in-out in 8.9904 Saltbr-out 4.5117 HRD-in -68.29, -50.47 77.57, -3.07 out-in-in SNCoii in-in ActLoopNT-in 2.837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.14, 159.95 APE9-dihe-na 132.75, -174.83 APE8-dihe-in -108.93, 112.47 APE8-rot-in 307.06 APE67-dihe-in -62.79, -16.23 -41.81, -49.04 APE12-dist-in 10.0996 APE11-dist-in 11.9677 APE10-dist-in 6.5219 APE9-dist-in 3.8336 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 C 323.0 288.0 8 30 26 4 [[183, 456]] 1.0 8w3x TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XD Q9NWZ3 164 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.9677 13.9927 BLAminus -130.92, 172.36 64.58, 86.68 -103.48, 14.54 305.1, 100.07 -62.66, -26.7 in-out in 8.8521 Saltbr-out 4.3981 HRD-in -69.41, -50.81 77.69, -1.46 out-in-in SNCoii in-in ActLoopNT-in 2.843 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.51, 160.43 APE9-dihe-na 133.04, -172.94 APE8-dihe-in -110.16, 111.74 APE8-rot-in 305.95 APE67-dihe-in -63.06, -15.81 -41.04, -49.97 APE12-dist-in 9.9983 APE11-dist-in 11.7911 APE10-dist-in 6.4283 APE9-dist-in 3.8999 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 D 323.0 287.0 9 30 26 4 [[183, 456]] 1.0 8w3x TKL_IRAK4_HUMAN TKL 5.2e-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: A1AFH

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% 8W3XC
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 8W3XA Q9NWZ3 162 460 460.0 A1AFH:501 Type1 Inactive DFGin 6.7631 14.0864 BLAminus -129.8, 175.53 62.33, 85.97 -101.36, 14.33 304.54, 100.12 -62.52, -27.4 in-out in 8.8657 Saltbr-out 4.4893 HRD-in -68.21, -49.93 76.52, -2.3 out-in-in SNCoii in-in ActLoopNT-in 2.8548 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.65, 160.15 APE9-dihe-na 133.09, -174.82 APE8-dihe-in -108.97, 112.7 APE8-rot-in 305.97 APE67-dihe-in -63.54, -15.82 -41.12, -50.5 APE12-dist-in 9.9893 APE11-dist-in 11.7283 APE10-dist-in 6.3538 APE9-dist-in 3.8624 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 A 323.0 289.0 10 30 25 5 [[183, 456]] 1.0 8w3x Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XB Q9NWZ3 162 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.7194 14.083 BLAminus -131.86, 175.94 61.72, 86.86 -102.91, 14.0 304.56, 100.34 -62.32, -27.57 in-out in 8.8165 Saltbr-out 4.434 HRD-in -69.04, -50.02 77.17, -2.0 out-in-in SNCoii in-in ActLoopNT-in 2.8469 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.36, 162.06 APE9-dihe-na 132.25, -173.81 APE8-dihe-in -109.37, 111.4 APE8-rot-in 305.14 APE67-dihe-in -62.67, -15.91 -40.92, -50.44 APE12-dist-in 10.0144 APE11-dist-in 11.7727 APE10-dist-in 6.3777 APE9-dist-in 3.7844 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 B 323.0 289.0 9 30 25 5 [[183, 456]] 1.0 8w3x Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XC Q9NWZ3 164 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.9712 14.0541 BLAminus -133.25, 171.05 66.34, 84.83 -102.34, 14.62 305.45, 100.45 -62.92, -27.96 in-out in 8.9904 Saltbr-out 4.5117 HRD-in -68.29, -50.47 77.57, -3.07 out-in-in SNCoii in-in ActLoopNT-in 2.837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.14, 159.95 APE9-dihe-na 132.75, -174.83 APE8-dihe-in -108.93, 112.47 APE8-rot-in 307.06 APE67-dihe-in -62.79, -16.23 -41.81, -49.04 APE12-dist-in 10.0996 APE11-dist-in 11.9677 APE10-dist-in 6.5219 APE9-dist-in 3.8336 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 C 323.0 288.0 8 30 26 4 [[183, 456]] 1.0 8w3x Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-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 8W3XD Q9NWZ3 164 459 460.0 A1AFH:501 Type1 Inactive DFGin 6.9677 13.9927 BLAminus -130.92, 172.36 64.58, 86.68 -103.48, 14.54 305.1, 100.07 -62.66, -26.7 in-out in 8.8521 Saltbr-out 4.3981 HRD-in -69.41, -50.81 77.69, -1.46 out-in-in SNCoii in-in ActLoopNT-in 2.843 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.51, 160.43 APE9-dihe-na 133.04, -172.94 APE8-dihe-in -110.16, 111.74 APE8-rot-in 305.95 APE67-dihe-in -63.06, -15.81 -41.04, -49.97 APE12-dist-in 9.9983 APE11-dist-in 11.7911 APE10-dist-in 6.4283 APE9-dist-in 3.8999 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 1.765 0.191 0.212 D 323.0 287.0 9 30 26 4 [[183, 456]] 1.0 8w3x Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-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: A1AFH

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