Ligand: A1A1E

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% 9CZTA
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
STE MAP4K1 M4K1_HUMAN 9CZTA Q92918 5 292 833.0 A1A1E:401 Type1 Inactive DFGin 6.2989 14.3353 BLAminus -140.35, 175.62 59.71, 82.27 -89.15, 19.04 288.12, 99.31 -55.34, -49.29 in-in in 8.8202 Saltbr-in 2.7253 HRD-in -72.27, -52.66 66.08, 4.34 in-out-out SNCioo out-out ActLoopNT-out 6.2218 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -80.97, -21.01 APE9-dihe-na 79.81, -158.76 APE8-dihe-in -64.23, 143.11 APE8-rot-out 46.29 APE67-dihe-in -61.81, -23.62 -110.28, 1.48 APE12-dist-out 20.7112 APE11-dist-out 20.2254 APE10-dist-out 20.9963 APE9-dist-out 27.5196 T165E,S171E None None XRAY 1.69 0.194 0.219 A 309.0 288.0 0 28 28 0 [[17, 274]] 1.0 9czt STE_MAP4K1_HUMAN STE 4.9e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 9CZTB Q92918 5 293 833.0 A1A1E:401 Type1 Inactive DFGin 6.2193 14.3403 BLAminus -146.07, 172.56 61.38, 80.77 -87.95, 18.12 288.02, 101.14 -55.26, -49.8 in-in in 9.0312 Saltbr-in 2.5775 HRD-in -76.71, -51.39 71.17, 0.36 in-out-out SNCioo out-out ActLoopNT-out 6.2951 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -72.79, -16.26 APE9-dihe-na 71.23, -149.72 APE8-dihe-in -63.45, 121.67 APE8-rot-out 72.41 APE67-dihe-in -58.64, -26.17 -98.87, 3.1 APE12-dist-out 20.1874 APE11-dist-out 20.4501 APE10-dist-out 21.6461 APE9-dist-out 28.2534 T165E,S171E None None XRAY 1.69 0.194 0.219 B 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czt STE_MAP4K1_HUMAN STE 4.9e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: A1A1E

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% 9CZTA
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
STE MAP4K1 M4K1_HUMAN 9CZTA Q92918 5 292 833.0 A1A1E:401 Type1 Inactive DFGin 6.2989 14.3353 BLAminus -140.35, 175.62 59.71, 82.27 -89.15, 19.04 288.12, 99.31 -55.34, -49.29 in-in in 8.8202 Saltbr-in 2.7253 HRD-in -72.27, -52.66 66.08, 4.34 in-out-out SNCioo out-out ActLoopNT-out 6.2218 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -80.97, -21.01 APE9-dihe-na 79.81, -158.76 APE8-dihe-in -64.23, 143.11 APE8-rot-out 46.29 APE67-dihe-in -61.81, -23.62 -110.28, 1.48 APE12-dist-out 20.7112 APE11-dist-out 20.2254 APE10-dist-out 20.9963 APE9-dist-out 27.5196 T165E,S171E None None XRAY 1.69 0.194 0.219 A 309.0 288.0 0 28 28 0 [[17, 274]] 1.0 9czt Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 9CZTB Q92918 5 293 833.0 A1A1E:401 Type1 Inactive DFGin 6.2193 14.3403 BLAminus -146.07, 172.56 61.38, 80.77 -87.95, 18.12 288.02, 101.14 -55.26, -49.8 in-in in 9.0312 Saltbr-in 2.5775 HRD-in -76.71, -51.39 71.17, 0.36 in-out-out SNCioo out-out ActLoopNT-out 6.2951 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -72.79, -16.26 APE9-dihe-na 71.23, -149.72 APE8-dihe-in -63.45, 121.67 APE8-rot-out 72.41 APE67-dihe-in -58.64, -26.17 -98.87, 3.1 APE12-dist-out 20.1874 APE11-dist-out 20.4501 APE10-dist-out 21.6461 APE9-dist-out 28.2534 T165E,S171E None None XRAY 1.69 0.194 0.219 B 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czt Homo sapiens STE_MAP4K1_HUMAN STE 4.9e-92 313.8 1.0 256.0 256.0 154 155 156 158 160 46 62 66 134 136 135 137.0 197 182 177 176 175 174 173 172 171 92 Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: A1A1E

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