Ligand: A1APO

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9BIKB
DFGout BBAminus 1 50.0% 9BIKA
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 9BIKB Q92918 4 293 833.0 A1APO:60306 Type1 Inactive DFGin 5.6829 14.3565 BLAminus -141.88, 171.96 69.55, 86.63 -96.36, 19.05 290.17, 117.22 -60.62, -46.28 in-out in 9.4557 Saltbr-out 3.8489 HRD-in -71.2, -54.39 71.44, 3.91 out-out-out SNCooo out-out ActLoopNT-out 6.1942 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -83.12, -39.97 APE9-dihe-na 75.35, -114.91 APE8-dihe-in -113.34, 93.34 APE8-rot-out 58.64 APE67-dihe-in -71.32, -21.13 -98.03, 27.22 APE12-dist-out 20.2179 APE11-dist-out 19.9377 APE10-dist-out 22.0336 APE9-dist-out 28.3653 None None None XRAY 2.25 0.199 0.244 B 311.0 288.0 2 28 28 0 [[17, 274]] 1.0 9bik 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 9BIKA Q92918 6 293 833.0 A1APO:60305 Type1 Inactive DFGout 11.0485 6.4288 BBAminus -86.09, 138.02 -107.53, 93.71 -107.56, 23.89 298.14, 124.18 -51.45, -27.27 out-out out 13.7893 Saltbr-out 15.0861 HRD-in -65.37, -54.34 81.94, -7.09 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -75.89, -68.71 APE9-dihe-na 67.03, -121.46 APE8-dihe-in -103.1, 131.35 APE8-rot-out 193.66 APE67-dihe-in -68.7, -24.1 -99.33, 8.23 APE12-dist-out 18.9576 APE11-dist-out 18.2543 APE10-dist-out 18.0595 APE9-dist-out 25.3855 None None None XRAY 2.25 0.199 0.244 A 311.0 277.0 11 28 19 9 [[17, 274]] 1.0 9bik 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: A1APO

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 9BIKB
DFGout BBAminus 1 50.0% 9BIKA
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 9BIKB Q92918 4 293 833.0 A1APO:60306 Type1 Inactive DFGin 5.6829 14.3565 BLAminus -141.88, 171.96 69.55, 86.63 -96.36, 19.05 290.17, 117.22 -60.62, -46.28 in-out in 9.4557 Saltbr-out 3.8489 HRD-in -71.2, -54.39 71.44, 3.91 out-out-out SNCooo out-out ActLoopNT-out 6.1942 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -83.12, -39.97 APE9-dihe-na 75.35, -114.91 APE8-dihe-in -113.34, 93.34 APE8-rot-out 58.64 APE67-dihe-in -71.32, -21.13 -98.03, 27.22 APE12-dist-out 20.2179 APE11-dist-out 19.9377 APE10-dist-out 22.0336 APE9-dist-out 28.3653 None None None XRAY 2.25 0.199 0.244 B 311.0 288.0 2 28 28 0 [[17, 274]] 1.0 9bik 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 9BIKA Q92918 6 293 833.0 A1APO:60305 Type1 Inactive DFGout 11.0485 6.4288 BBAminus -86.09, 138.02 -107.53, 93.71 -107.56, 23.89 298.14, 124.18 -51.45, -27.27 out-out out 13.7893 Saltbr-out 15.0861 HRD-in -65.37, -54.34 81.94, -7.09 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -75.89, -68.71 APE9-dihe-na 67.03, -121.46 APE8-dihe-in -103.1, 131.35 APE8-rot-out 193.66 APE67-dihe-in -68.7, -24.1 -99.33, 8.23 APE12-dist-out 18.9576 APE11-dist-out 18.2543 APE10-dist-out 18.0595 APE9-dist-out 25.3855 None None None XRAY 2.25 0.199 0.244 A 311.0 277.0 11 28 19 9 [[17, 274]] 1.0 9bik 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: A1APO

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