Ligand: NBK

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6THWB
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 6THWA Q9NWZ3 164 458 460.0 NBK:501 Type1 Inactive DFGin 6.8204 14.6137 BLAminus -123.66, 168.11 62.81, 82.82 -101.09, 19.87 307.94, 110.85 -62.52, -25.01 in-out in 9.344 Saltbr-out 4.8967 HRD-in -67.46, -50.06 75.47, -3.2 out-in-none SNCoin in-none ActLoopNT-in 2.7816 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_niii APE10-dihe-na -124.8, 166.47 APE9-dihe-na 126.73, -169.13 APE8-dihe-in -110.99, 111.83 APE8-rot-in 308.93 APE67-dihe-in -62.57, -16.11 -43.52, -47.59 APE12-dist-none 999.0 APE11-dist-in 11.9165 APE10-dist-in 6.5636 APE9-dist-in 3.7607 None None None XRAY 2.44 0.242 0.271 A 308.0 277.0 18 30 18 12 [[183, 456]] 1.0 6thw 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 6THWB Q9NWZ3 164 458 460.0 NBK:501 Type1 Inactive DFGin 7.0858 14.4327 BLAminus -140.9, 170.15 72.18, 81.33 -104.48, 18.05 307.7, 105.04 -67.72, -34.78 in-out in 9.1622 Saltbr-out 6.8487 HRD-in -62.52, -55.9 78.39, -2.11 out-in-none SNCoin in-none ActLoopNT-in 2.6548 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_niii APE10-dihe-na -148.04, 150.43 APE9-dihe-na 154.2, -168.3 APE8-dihe-in -105.53, 110.29 APE8-rot-in 314.35 APE67-dihe-in -55.79, -22.17 -55.77, -37.55 APE12-dist-none 999.0 APE11-dist-in 11.5075 APE10-dist-in 6.9992 APE9-dist-in 4.133 None None None XRAY 2.44 0.242 0.271 B 308.0 281.0 14 30 19 11 [[183, 456]] 1.0 6thw 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

Ligand: NBK

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6THWB
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 6THWA Q9NWZ3 164 458 460.0 NBK:501 Type1 Inactive DFGin 6.8204 14.6137 BLAminus -123.66, 168.11 62.81, 82.82 -101.09, 19.87 307.94, 110.85 -62.52, -25.01 in-out in 9.344 Saltbr-out 4.8967 HRD-in -67.46, -50.06 75.47, -3.2 out-in-none SNCoin in-none ActLoopNT-in 2.7816 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_niii APE10-dihe-na -124.8, 166.47 APE9-dihe-na 126.73, -169.13 APE8-dihe-in -110.99, 111.83 APE8-rot-in 308.93 APE67-dihe-in -62.57, -16.11 -43.52, -47.59 APE12-dist-none 999.0 APE11-dist-in 11.9165 APE10-dist-in 6.5636 APE9-dist-in 3.7607 None None None XRAY 2.44 0.242 0.271 A 308.0 277.0 18 30 18 12 [[183, 456]] 1.0 6thw 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 6THWB Q9NWZ3 164 458 460.0 NBK:501 Type1 Inactive DFGin 7.0858 14.4327 BLAminus -140.9, 170.15 72.18, 81.33 -104.48, 18.05 307.7, 105.04 -67.72, -34.78 in-out in 9.1622 Saltbr-out 6.8487 HRD-in -62.52, -55.9 78.39, -2.11 out-in-none SNCoin in-none ActLoopNT-in 2.6548 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_niii APE10-dihe-na -148.04, 150.43 APE9-dihe-na 154.2, -168.3 APE8-dihe-in -105.53, 110.29 APE8-rot-in 314.35 APE67-dihe-in -55.79, -22.17 -55.77, -37.55 APE12-dist-none 999.0 APE11-dist-in 11.5075 APE10-dist-in 6.9992 APE9-dist-in 4.133 None None None XRAY 2.44 0.242 0.271 B 308.0 281.0 14 30 19 11 [[183, 456]] 1.0 6thw 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

Ligand: NBK

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