Ligand: A1APL

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 9BI8A
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 9BI8A Q92918 6 293 833.0 A1APL:60301 Type1 Inactive DFGinter 10.8795 6.3921 None -84.61, 129.22 -97.99, 100.09 -110.18, 33.34 298.01, 131.21 -69.67, 73.48 out-out out 13.7642 Saltbr-out 14.0744 HRD-in -72.89, -53.57 81.64, -15.14 out-out-out SNCooo out-out ActLoopNT-out 12.228 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -88.01, -22.61 APE9-dihe-na 97.47, -162.62 APE8-dihe-in -70.31, 141.95 APE8-rot-out 187.73 APE67-dihe-in -58.8, -30.03 -104.05, -8.58 APE12-dist-out 20.5557 APE11-dist-out 20.7045 APE10-dist-out 21.8391 APE9-dist-out 20.9281 None None None XRAY 2.25 0.203 0.271 A 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9bi8 STE_MAP4K1_HUMAN STE 5e-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 9BI8B Q92918 6 293 833.0 A1APL:60302 Type1 Inactive DFGinter 10.7403 6.2297 None -97.5, 135.14 -108.73, 95.26 -106.77, 39.31 297.68, 134.76 -83.18, 62.11 out-out out 13.9969 Saltbr-out 14.0393 HRD-in -72.45, -53.25 76.92, -14.23 out-out-out SNCooo out-out ActLoopNT-out 12.839 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -130.02, -27.74 APE9-dihe-na 93.81, 172.9 APE8-dihe-in -65.36, 145.02 APE8-rot-out 198.59 APE67-dihe-in -58.71, -28.43 -102.52, -7.42 APE12-dist-out 22.4861 APE11-dist-out 22.1016 APE10-dist-out 20.5999 APE9-dist-out 22.0567 None None None XRAY 2.25 0.203 0.271 B 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9bi8 STE_MAP4K1_HUMAN STE 5e-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: A1APL

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 100.0% 9BI8A
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 9BI8A Q92918 6 293 833.0 A1APL:60301 Type1 Inactive DFGinter 10.8795 6.3921 None -84.61, 129.22 -97.99, 100.09 -110.18, 33.34 298.01, 131.21 -69.67, 73.48 out-out out 13.7642 Saltbr-out 14.0744 HRD-in -72.89, -53.57 81.64, -15.14 out-out-out SNCooo out-out ActLoopNT-out 12.228 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -88.01, -22.61 APE9-dihe-na 97.47, -162.62 APE8-dihe-in -70.31, 141.95 APE8-rot-out 187.73 APE67-dihe-in -58.8, -30.03 -104.05, -8.58 APE12-dist-out 20.5557 APE11-dist-out 20.7045 APE10-dist-out 21.8391 APE9-dist-out 20.9281 None None None XRAY 2.25 0.203 0.271 A 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9bi8 Homo sapiens STE_MAP4K1_HUMAN STE 5e-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 9BI8B Q92918 6 293 833.0 A1APL:60302 Type1 Inactive DFGinter 10.7403 6.2297 None -97.5, 135.14 -108.73, 95.26 -106.77, 39.31 297.68, 134.76 -83.18, 62.11 out-out out 13.9969 Saltbr-out 14.0393 HRD-in -72.45, -53.25 76.92, -14.23 out-out-out SNCooo out-out ActLoopNT-out 12.839 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -130.02, -27.74 APE9-dihe-na 93.81, 172.9 APE8-dihe-in -65.36, 145.02 APE8-rot-out 198.59 APE67-dihe-in -58.71, -28.43 -102.52, -7.42 APE12-dist-out 22.4861 APE11-dist-out 22.1016 APE10-dist-out 20.5999 APE9-dist-out 22.0567 None None None XRAY 2.25 0.203 0.271 B 311.0 288.0 0 28 28 0 [[17, 274]] 1.0 9bi8 Homo sapiens STE_MAP4K1_HUMAN STE 5e-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: A1APL

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