Ligand: ZVG

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8SCVA
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 8SCVA Q9NWZ3 163 458 460.0 ZVG:501 Type1 Active DFGin 7.184 13.9863 BLAminus -124.46, -179.76 59.49, 87.11 -109.26, 17.19 305.43, 95.33 -61.37, -28.15 in-in in 8.6029 Saltbr-in 2.786 HRD-in -70.57, -45.98 74.49, -10.35 in-in-in SNCiii in-in ActLoopNT-in 2.7225 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.75, 138.68 APE9-dihe-na 145.66, -163.91 APE8-dihe-in -109.56, 109.15 APE8-rot-in 316.1 APE67-dihe-in -55.77, -25.63 -52.88, -41.01 APE12-dist-in 11.5674 APE11-dist-in 11.7092 APE10-dist-in 6.5021 APE9-dist-in 4.3107 None SEP284,TPO345,SEP346 SEP284,TPO345,SEP346 XRAY 2.69 0.222 0.261 A 305.0 290.0 6 30 26 4 [[183, 456]] 1.0 8scv TKL_IRAK4_HUMAN TKL 4.3e-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 8SCVB Q9NWZ3 165 459 460.0 ZVG:501 Type1 Inactive DFGin 7.1982 14.2281 BLAminus -124.98, -179.77 59.41, 86.09 -112.04, 18.78 306.72, 95.85 -65.24, -40.99 in-none in 8.6641 Saltbr-none 999.0 HRD-in -71.15, -45.18 73.66, -10.79 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ooon APE10-dihe-na -17.19, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.41, -44.69 999.0, 171.91 APE12-dist-out 20.2582 APE11-dist-out 21.893 APE10-dist-out 16.6393 APE9-dist-none 999.0 None TPO345,SEP346 TPO345,SEP346 XRAY 2.69 0.222 0.261 B 305.0 263.0 32 30 19 11 [[183, 456]] 1.0 8scv TKL_IRAK4_HUMAN TKL 4.3e-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: ZVG

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 8SCVA
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 8SCVA Q9NWZ3 163 458 460.0 ZVG:501 Type1 Active DFGin 7.184 13.9863 BLAminus -124.46, -179.76 59.49, 87.11 -109.26, 17.19 305.43, 95.33 -61.37, -28.15 in-in in 8.6029 Saltbr-in 2.786 HRD-in -70.57, -45.98 74.49, -10.35 in-in-in SNCiii in-in ActLoopNT-in 2.7225 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -122.75, 138.68 APE9-dihe-na 145.66, -163.91 APE8-dihe-in -109.56, 109.15 APE8-rot-in 316.1 APE67-dihe-in -55.77, -25.63 -52.88, -41.01 APE12-dist-in 11.5674 APE11-dist-in 11.7092 APE10-dist-in 6.5021 APE9-dist-in 4.3107 None SEP284,TPO345,SEP346 SEP284,TPO345,SEP346 XRAY 2.69 0.222 0.261 A 305.0 290.0 6 30 26 4 [[183, 456]] 1.0 8scv Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-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 8SCVB Q9NWZ3 165 459 460.0 ZVG:501 Type1 Inactive DFGin 7.1982 14.2281 BLAminus -124.98, -179.77 59.41, 86.09 -112.04, 18.78 306.72, 95.85 -65.24, -40.99 in-none in 8.6641 Saltbr-none 999.0 HRD-in -71.15, -45.18 73.66, -10.79 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ooon APE10-dihe-na -17.19, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.41, -44.69 999.0, 171.91 APE12-dist-out 20.2582 APE11-dist-out 21.893 APE10-dist-out 16.6393 APE9-dist-none 999.0 None TPO345,SEP346 TPO345,SEP346 XRAY 2.69 0.222 0.261 B 305.0 263.0 32 30 19 11 [[183, 456]] 1.0 8scv Homo sapiens TKL_IRAK4_HUMAN TKL 4.3e-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: ZVG

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