Ligand: 8C1

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% 5UISB

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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 5UISA Q9NWZ3 165 458 460.0 8C1:800 Type1 Inactive DFGin 7.112 14.04 BLAminus -129.58, 176.58 61.82, 86.42 -113.89, 16.49 308.82, 94.47 -62.9, -34.09 in-out in 8.541 Saltbr-out 5.555 HRD-in -63.14, -50.87 76.52, -0.1 out-in-in SNCoii in-in ActLoopNT-in 2.777 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.1, 153.54 APE9-dihe-na 136.54, -173.47 APE8-dihe-in -104.82, 108.83 APE8-rot-in 309.6 APE67-dihe-in -61.86, -20.01 -38.21, -50.94 APE12-dist-in 10.039 APE11-dist-in 11.828 APE10-dist-in 6.463 APE9-dist-in 3.903 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 A 323 270 24 0 0 8 [[183, 456]] 1.0 5uis TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISB Q9NWZ3 165 458 460.0 8C1:801 Type1 Inactive DFGin 7.169 13.968 BLAminus -129.92, 177.17 60.99, 86.93 -113.16, 17.11 308.88, 93.79 -61.36, -35.46 in-out in 8.744 Saltbr-out 6.521 HRD-in -63.03, -51.01 76.25, -0.93 out-in-in SNCoii in-in ActLoopNT-in 2.774 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.05, 154.43 APE9-dihe-na 135.24, -173.1 APE8-dihe-in -105.0, 108.25 APE8-rot-in 310.98 APE67-dihe-in -62.29, -20.41 -37.93, -50.24 APE12-dist-in 10.086 APE11-dist-in 11.806 APE10-dist-in 6.418 APE9-dist-in 3.897 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 B 323 275 19 0 0 7 [[183, 456]] 1.0 5uis TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISC Q9NWZ3 162 458 460.0 8C1:501 Type1 Inactive DFGin 7.007 14.387 BLAminus -130.49, 177.24 60.84, 87.43 -113.94, 16.73 308.87, 94.61 -62.1, -34.09 in-out in 8.868 Saltbr-out 5.562 HRD-in -63.44, -49.93 76.07, -0.4 out-in-in SNCoii in-in ActLoopNT-in 2.789 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.1, 154.4 APE9-dihe-na 135.33, -172.81 APE8-dihe-in -104.91, 108.2 APE8-rot-in 311.65 APE67-dihe-in -62.59, -19.93 -37.82, -50.44 APE12-dist-in 10.052 APE11-dist-in 11.932 APE10-dist-in 6.526 APE9-dist-in 3.887 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 C 323 271 26 0 0 8 [[183, 456]] 1.0 5uis TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISD Q9NWZ3 165 458 460.0 8C1:501 Type1 Inactive DFGin 6.92 14.308 BLAminus -130.03, 177.09 61.04, 87.02 -113.16, 16.71 309.14, 94.51 -62.12, -34.57 in-out in 8.818 Saltbr-out 6.542 HRD-in -64.13, -50.74 76.91, 0.02 out-in-in SNCoii in-in ActLoopNT-in 2.788 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.65, 153.91 APE9-dihe-na 135.71, -173.08 APE8-dihe-in -105.05, 108.68 APE8-rot-in 311.81 APE67-dihe-in -63.27, -19.62 -38.27, -49.96 APE12-dist-in 10.032 APE11-dist-in 11.827 APE10-dist-in 6.456 APE9-dist-in 3.912 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 D 323 251 43 0 0 8 [[183, 456]] 1.0 5uis TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: 8C1

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% 5UISB

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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 5UISA Q9NWZ3 165 458 460.0 8C1:800 Type1 Inactive DFGin 7.112 14.04 BLAminus -129.58, 176.58 61.82, 86.42 -113.89, 16.49 308.82, 94.47 -62.9, -34.09 in-out in 8.541 Saltbr-out 5.555 HRD-in -63.14, -50.87 76.52, -0.1 out-in-in SNCoii in-in ActLoopNT-in 2.777 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.1, 153.54 APE9-dihe-na 136.54, -173.47 APE8-dihe-in -104.82, 108.83 APE8-rot-in 309.6 APE67-dihe-in -61.86, -20.01 -38.21, -50.94 APE12-dist-in 10.039 APE11-dist-in 11.828 APE10-dist-in 6.463 APE9-dist-in 3.903 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 A 323 270 24 0 0 8 [[183, 456]] 1.0 5uis Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISB Q9NWZ3 165 458 460.0 8C1:801 Type1 Inactive DFGin 7.169 13.968 BLAminus -129.92, 177.17 60.99, 86.93 -113.16, 17.11 308.88, 93.79 -61.36, -35.46 in-out in 8.744 Saltbr-out 6.521 HRD-in -63.03, -51.01 76.25, -0.93 out-in-in SNCoii in-in ActLoopNT-in 2.774 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.05, 154.43 APE9-dihe-na 135.24, -173.1 APE8-dihe-in -105.0, 108.25 APE8-rot-in 310.98 APE67-dihe-in -62.29, -20.41 -37.93, -50.24 APE12-dist-in 10.086 APE11-dist-in 11.806 APE10-dist-in 6.418 APE9-dist-in 3.897 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 B 323 275 19 0 0 7 [[183, 456]] 1.0 5uis Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISC Q9NWZ3 162 458 460.0 8C1:501 Type1 Inactive DFGin 7.007 14.387 BLAminus -130.49, 177.24 60.84, 87.43 -113.94, 16.73 308.87, 94.61 -62.1, -34.09 in-out in 8.868 Saltbr-out 5.562 HRD-in -63.44, -49.93 76.07, -0.4 out-in-in SNCoii in-in ActLoopNT-in 2.789 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -130.1, 154.4 APE9-dihe-na 135.33, -172.81 APE8-dihe-in -104.91, 108.2 APE8-rot-in 311.65 APE67-dihe-in -62.59, -19.93 -37.82, -50.44 APE12-dist-in 10.052 APE11-dist-in 11.932 APE10-dist-in 6.526 APE9-dist-in 3.887 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 C 323 271 26 0 0 8 [[183, 456]] 1.0 5uis Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 5UISD Q9NWZ3 165 458 460.0 8C1:501 Type1 Inactive DFGin 6.92 14.308 BLAminus -130.03, 177.09 61.04, 87.02 -113.16, 16.71 309.14, 94.51 -62.12, -34.57 in-out in 8.818 Saltbr-out 6.542 HRD-in -64.13, -50.74 76.91, 0.02 out-in-in SNCoii in-in ActLoopNT-in 2.788 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.65, 153.91 APE9-dihe-na 135.71, -173.08 APE8-dihe-in -105.05, 108.68 APE8-rot-in 311.81 APE67-dihe-in -63.27, -19.62 -38.27, -49.96 APE12-dist-in 10.032 APE11-dist-in 11.827 APE10-dist-in 6.456 APE9-dist-in 3.912 None TPO342,TPO345 TPO342,TPO345 XRAY 2.5 0.235 0.25 D 323 251 43 0 0 8 [[183, 456]] 1.0 5uis Homo sapiens TKL_IRAK4_HUMAN TKL 5.2e-84 287.9 5 266 262 328 329 330 332 334 213 233 237 308 310 309 311 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4

Ligand: 8C1

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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