PDB: 8TVM — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8TVMB
DFGin None 1 25.0% 8TVMD

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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 8TVMA Q9NWZ3 164 459 460.0 VDC:501 Type1 Inactive DFGin 7.0501 14.4498 BLAminus -132.18, 174.07 62.0, 72.94 -94.59, 26.48 308.28, 71.42 -66.42, -36.15 in-out in 9.0051 Saltbr-out 4.39 HRD-in -66.24, -53.38 76.43, -3.48 out-in-in SNCoii in-in ActLoopNT-in 2.6755 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.69, 149.04 APE9-dihe-na 147.68, -173.36 APE8-dihe-in -109.64, 107.78 APE8-rot-in 317.11 APE67-dihe-in -64.75, -17.49 -53.67, -37.13 APE12-dist-in 9.854 APE11-dist-in 11.9108 APE10-dist-in 6.7173 APE9-dist-in 4.1363 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 A 307.0 287.0 9 30 25 5 [[183, 456]] 1.0 8tvm TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMB Q9NWZ3 164 459 460.0 VDC:501 Type1 Active DFGin 6.7569 13.5478 BLAminus -140.59, 174.72 61.77, 69.23 -90.22, 25.09 318.9, 80.9 -70.23, -27.26 in-in in 8.9524 Saltbr-in 3.5122 HRD-in -71.78, -55.46 78.6, -2.38 in-in-in SNCiii in-in ActLoopNT-in 2.898 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.68, 151.46 APE9-dihe-na 150.0, -172.63 APE8-dihe-in -105.17, 113.19 APE8-rot-in 324.78 APE67-dihe-in -64.51, -17.83 -60.0, -33.31 APE12-dist-in 10.1836 APE11-dist-in 11.6186 APE10-dist-in 6.722 APE9-dist-in 4.1456 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 B 307.0 289.0 7 30 25 5 [[183, 456]] 1.0 8tvm TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMC Q9NWZ3 160 458 460.0 VDC:501 Type1 None DFGin 6.907 14.6736 BLAminus -124.23, 176.14 60.41, 68.85 -88.16, 21.88 308.01, 97.71 -66.33, -43.48 in-none in 8.8732 Saltbr-none 999.0 HRD-in -71.38, -49.64 77.01, -7.35 none-in-in SNCnii in-in ActLoopNT-in 2.6838 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.63, 156.99 APE9-dihe-na 140.7, -171.01 APE8-dihe-in -113.25, 123.93 APE8-rot-in 312.17 APE67-dihe-in -64.66, -21.4 -62.46, -37.14 APE12-dist-in 9.7991 APE11-dist-in 11.1869 APE10-dist-in 6.2459 APE9-dist-in 3.9943 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 C 307.0 281.0 18 30 24 6 [[183, 456]] 1.0 8tvm TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMD Q9NWZ3 164 459 460.0 VDC:501 Type1 Inactive DFGin 7.8031 14.7146 None -126.76, 170.55 55.84, 64.27 -89.21, 999.0 333.58, 116.07 999.0, 999.0 in-out in 9.0975 Saltbr-out 4.7491 HRD-in -67.23, -50.36 76.24, -8.64 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na -109.51, 116.74 APE9-dihe-na 179.74, -172.21 APE8-dihe-in -111.79, 118.52 APE8-rot-out 41.22 APE67-dihe-in -67.21, -19.62 -56.37, -42.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.276 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 D 307.0 277.0 19 30 19 11 [[183, 456]] 1.0 8tvm TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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

PDB: 8TVM — TKL IRAK4_HUMAN

Total number of chains: 4
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8TVMB
DFGin None 1 25.0% 8TVMD

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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 8TVMA Q9NWZ3 164 459 460.0 VDC:501 Type1 Inactive DFGin 7.0501 14.4498 BLAminus -132.18, 174.07 62.0, 72.94 -94.59, 26.48 308.28, 71.42 -66.42, -36.15 in-out in 9.0051 Saltbr-out 4.39 HRD-in -66.24, -53.38 76.43, -3.48 out-in-in SNCoii in-in ActLoopNT-in 2.6755 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.69, 149.04 APE9-dihe-na 147.68, -173.36 APE8-dihe-in -109.64, 107.78 APE8-rot-in 317.11 APE67-dihe-in -64.75, -17.49 -53.67, -37.13 APE12-dist-in 9.854 APE11-dist-in 11.9108 APE10-dist-in 6.7173 APE9-dist-in 4.1363 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 A 307.0 287.0 9 30 25 5 [[183, 456]] 1.0 8tvm Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMB Q9NWZ3 164 459 460.0 VDC:501 Type1 Active DFGin 6.7569 13.5478 BLAminus -140.59, 174.72 61.77, 69.23 -90.22, 25.09 318.9, 80.9 -70.23, -27.26 in-in in 8.9524 Saltbr-in 3.5122 HRD-in -71.78, -55.46 78.6, -2.38 in-in-in SNCiii in-in ActLoopNT-in 2.898 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -142.68, 151.46 APE9-dihe-na 150.0, -172.63 APE8-dihe-in -105.17, 113.19 APE8-rot-in 324.78 APE67-dihe-in -64.51, -17.83 -60.0, -33.31 APE12-dist-in 10.1836 APE11-dist-in 11.6186 APE10-dist-in 6.722 APE9-dist-in 4.1456 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 B 307.0 289.0 7 30 25 5 [[183, 456]] 1.0 8tvm Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMC Q9NWZ3 160 458 460.0 VDC:501 Type1 None DFGin 6.907 14.6736 BLAminus -124.23, 176.14 60.41, 68.85 -88.16, 21.88 308.01, 97.71 -66.33, -43.48 in-none in 8.8732 Saltbr-none 999.0 HRD-in -71.38, -49.64 77.01, -7.35 none-in-in SNCnii in-in ActLoopNT-in 2.6838 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.63, 156.99 APE9-dihe-na 140.7, -171.01 APE8-dihe-in -113.25, 123.93 APE8-rot-in 312.17 APE67-dihe-in -64.66, -21.4 -62.46, -37.14 APE12-dist-in 9.7991 APE11-dist-in 11.1869 APE10-dist-in 6.2459 APE9-dist-in 3.9943 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 C 307.0 281.0 18 30 24 6 [[183, 456]] 1.0 8tvm Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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 8TVMD Q9NWZ3 164 459 460.0 VDC:501 Type1 Inactive DFGin 7.8031 14.7146 None -126.76, 170.55 55.84, 64.27 -89.21, 999.0 333.58, 116.07 999.0, 999.0 in-out in 9.0975 Saltbr-out 4.7491 HRD-in -67.23, -50.36 76.24, -8.64 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnni APE10-dihe-na -109.51, 116.74 APE9-dihe-na 179.74, -172.21 APE8-dihe-in -111.79, 118.52 APE8-rot-out 41.22 APE67-dihe-in -67.21, -19.62 -56.37, -42.77 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 4.276 None TPO342,TPO345,SEP346 TPO342,TPO345,SEP346 XRAY 2.1 0.223 0.246 D 307.0 277.0 19 30 19 11 [[183, 456]] 1.0 8tvm Homo sapiens TKL_IRAK4_HUMAN TKL 4.4e-84 288.1 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

PDB: 8TVM — 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