PDB: 9NA4 — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9NA4C

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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 9NA4A Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.813 14.31 BLAminus -127.38, -174.41 53.31, 76.49 -96.02, 23.68 303.26, 85.02 -73.65, -19.1 in-in in 8.828 Saltbr-in 2.881 HRD-in -71.63, -47.62 74.26, 11.21 in-in-in SNCiii in-in ActLoopNT-in 2.73 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.51, 136.05 APE9-dihe-na 160.84, -170.21 APE8-dihe-in -108.63, 109.57 APE8-rot-in 307.2 APE67-dihe-in -69.94, -9.11 -50.47, -38.9 APE12-dist-in 9.773 APE11-dist-in 11.733 APE10-dist-in 6.701 APE9-dist-in 4.129 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 A 304 283 13 0 0 5 [[183, 456]] 1.0 9na4 TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4B Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.895 14.257 BLAminus -128.47, -178.23 58.06, 81.63 -102.84, 25.74 297.67, 81.88 -71.22, -28.21 in-in in 8.905 Saltbr-in 3.129 HRD-in -72.71, -43.84 74.71, -2.67 in-in-in SNCiii in-in ActLoopNT-in 2.742 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.53, 162.66 APE9-dihe-na 130.06, -172.53 APE8-dihe-in -106.79, 115.27 APE8-rot-in 294.12 APE67-dihe-in -66.46, -17.91 -59.45, -33.75 APE12-dist-in 9.88 APE11-dist-in 11.398 APE10-dist-in 6.504 APE9-dist-in 4.294 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 B 304 283 13 0 0 5 [[183, 456]] 1.0 9na4 TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4C Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.862 13.912 BLAminus -133.2, 178.13 56.03, 83.33 -103.05, 20.53 303.74, 87.67 -66.4, -20.44 in-in in 8.956 Saltbr-in 2.982 HRD-in -79.23, -52.87 78.53, 5.04 in-in-in SNCiii in-in ActLoopNT-in 2.729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -140.71, 151.98 APE9-dihe-na 136.82, -178.5 APE8-dihe-in -102.72, 112.21 APE8-rot-in 308.82 APE67-dihe-in -65.51, -14.62 -58.09, -34.11 APE12-dist-in 10.118 APE11-dist-in 11.774 APE10-dist-in 6.732 APE9-dist-in 4.372 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 C 304 285 11 0 0 5 [[183, 456]] 1.0 9na4 TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4D Q9NWZ3 165 459 460.0 A1BW1:501 Type1 Active DFGin 6.982 14.165 BLAminus -128.79, -176.45 53.3, 89.86 -110.92, 19.74 296.14, 90.51 -74.91, -26.5 in-in in 8.932 Saltbr-in 2.659 HRD-in -78.81, -47.02 77.11, -5.8 in-in-in SNCiii in-in ActLoopNT-in 2.772 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.58, 166.79 APE9-dihe-na 117.7, -160.99 APE8-dihe-in -116.5, 117.73 APE8-rot-in 325.76 APE67-dihe-in -62.89, -19.72 -54.11, -37.62 APE12-dist-in 10.066 APE11-dist-in 11.529 APE10-dist-in 6.506 APE9-dist-in 4.371 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 D 304 284 11 0 0 5 [[183, 456]] 1.0 9na4 TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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

PDB: 9NA4 — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9NA4C

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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 9NA4A Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.813 14.31 BLAminus -127.38, -174.41 53.31, 76.49 -96.02, 23.68 303.26, 85.02 -73.65, -19.1 in-in in 8.828 Saltbr-in 2.881 HRD-in -71.63, -47.62 74.26, 11.21 in-in-in SNCiii in-in ActLoopNT-in 2.73 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.51, 136.05 APE9-dihe-na 160.84, -170.21 APE8-dihe-in -108.63, 109.57 APE8-rot-in 307.2 APE67-dihe-in -69.94, -9.11 -50.47, -38.9 APE12-dist-in 9.773 APE11-dist-in 11.733 APE10-dist-in 6.701 APE9-dist-in 4.129 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 A 304 283 13 0 0 5 [[183, 456]] 1.0 9na4 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4B Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.895 14.257 BLAminus -128.47, -178.23 58.06, 81.63 -102.84, 25.74 297.67, 81.88 -71.22, -28.21 in-in in 8.905 Saltbr-in 3.129 HRD-in -72.71, -43.84 74.71, -2.67 in-in-in SNCiii in-in ActLoopNT-in 2.742 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.53, 162.66 APE9-dihe-na 130.06, -172.53 APE8-dihe-in -106.79, 115.27 APE8-rot-in 294.12 APE67-dihe-in -66.46, -17.91 -59.45, -33.75 APE12-dist-in 9.88 APE11-dist-in 11.398 APE10-dist-in 6.504 APE9-dist-in 4.294 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 B 304 283 13 0 0 5 [[183, 456]] 1.0 9na4 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4C Q9NWZ3 164 459 460.0 A1BW1:501 Type1 Active DFGin 6.862 13.912 BLAminus -133.2, 178.13 56.03, 83.33 -103.05, 20.53 303.74, 87.67 -66.4, -20.44 in-in in 8.956 Saltbr-in 2.982 HRD-in -79.23, -52.87 78.53, 5.04 in-in-in SNCiii in-in ActLoopNT-in 2.729 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -140.71, 151.98 APE9-dihe-na 136.82, -178.5 APE8-dihe-in -102.72, 112.21 APE8-rot-in 308.82 APE67-dihe-in -65.51, -14.62 -58.09, -34.11 APE12-dist-in 10.118 APE11-dist-in 11.774 APE10-dist-in 6.732 APE9-dist-in 4.372 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 C 304 285 11 0 0 5 [[183, 456]] 1.0 9na4 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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 9NA4D Q9NWZ3 165 459 460.0 A1BW1:501 Type1 Active DFGin 6.982 14.165 BLAminus -128.79, -176.45 53.3, 89.86 -110.92, 19.74 296.14, 90.51 -74.91, -26.5 in-in in 8.932 Saltbr-in 2.659 HRD-in -78.81, -47.02 77.11, -5.8 in-in-in SNCiii in-in ActLoopNT-in 2.772 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.58, 166.79 APE9-dihe-na 117.7, -160.99 APE8-dihe-in -116.5, 117.73 APE8-rot-in 325.76 APE67-dihe-in -62.89, -19.72 -54.11, -37.62 APE12-dist-in 10.066 APE11-dist-in 11.529 APE10-dist-in 6.506 APE9-dist-in 4.371 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.33 0.227 0.273 D 304 284 11 0 0 5 [[183, 456]] 1.0 9na4 Homo sapiens TKL_IRAK4_HUMAN TKL 4.2e-84 288.2 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

PDB: 9NA4 — TKL IRAK4_HUMAN

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

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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