Ligand: A1A1B

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% 9CZXB
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 9CZXA Q92918 1 292 833.0 A1A1B:60401 Type1 Inactive DFGin 5.4561 14.1164 BLAminus -136.88, 170.25 74.65, 86.4 -97.31, 23.38 288.29, 110.97 -60.88, -50.46 in-in in 9.0196 Saltbr-in 2.7207 HRD-in -77.07, -55.67 66.53, 5.39 in-out-out SNCioo out-out ActLoopNT-out 6.1778 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.91, -29.12 APE9-dihe-na 72.57, -159.77 APE8-dihe-in -67.35, 141.44 APE8-rot-out 207.67 APE67-dihe-in -52.4, -31.07 -100.58, -15.44 APE12-dist-out 20.2257 APE11-dist-out 20.5 APE10-dist-out 21.2945 APE9-dist-out 27.5976 T165E,S171E None None XRAY 1.464 0.216 0.242 A 309.0 288.0 4 28 28 0 [[17, 274]] 1.0 9czx 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 9CZXB Q92918 8 292 833.0 A1A1B:60402,A1A1B:60403 Type1,Allosteric Inactive DFGin 6.3426 14.2793 BLAminus -134.7, 170.43 71.89, 82.48 -96.36, 23.25 289.39, 99.86 -63.19, -37.33 in-in in 9.036 Saltbr-in 2.7123 HRD-in -68.81, -50.24 70.2, 0.87 in-out-out SNCioo out-out ActLoopNT-out 5.9272 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -61.69, 123.51 APE9-dihe-na -83.33, -140.23 APE8-dihe-in -74.52, 137.21 APE8-rot-out 68.09 APE67-dihe-in -59.39, -33.85 -97.6, 2.5 APE12-dist-out 20.3086 APE11-dist-out 20.8314 APE10-dist-out 22.527 APE9-dist-out 28.4868 T165E,S171E None None XRAY 1.464 0.216 0.242 B 309.0 285.0 0 28 28 0 [[17, 274]] 1.0 9czx 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: A1A1B

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% 9CZXB
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 9CZXA Q92918 1 292 833.0 A1A1B:60401 Type1 Inactive DFGin 5.4561 14.1164 BLAminus -136.88, 170.25 74.65, 86.4 -97.31, 23.38 288.29, 110.97 -60.88, -50.46 in-in in 9.0196 Saltbr-in 2.7207 HRD-in -77.07, -55.67 66.53, 5.39 in-out-out SNCioo out-out ActLoopNT-out 6.1778 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.91, -29.12 APE9-dihe-na 72.57, -159.77 APE8-dihe-in -67.35, 141.44 APE8-rot-out 207.67 APE67-dihe-in -52.4, -31.07 -100.58, -15.44 APE12-dist-out 20.2257 APE11-dist-out 20.5 APE10-dist-out 21.2945 APE9-dist-out 27.5976 T165E,S171E None None XRAY 1.464 0.216 0.242 A 309.0 288.0 4 28 28 0 [[17, 274]] 1.0 9czx 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 9CZXB Q92918 8 292 833.0 A1A1B:60402,A1A1B:60403 Type1,Allosteric Inactive DFGin 6.3426 14.2793 BLAminus -134.7, 170.43 71.89, 82.48 -96.36, 23.25 289.39, 99.86 -63.19, -37.33 in-in in 9.036 Saltbr-in 2.7123 HRD-in -68.81, -50.24 70.2, 0.87 in-out-out SNCioo out-out ActLoopNT-out 5.9272 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -61.69, 123.51 APE9-dihe-na -83.33, -140.23 APE8-dihe-in -74.52, 137.21 APE8-rot-out 68.09 APE67-dihe-in -59.39, -33.85 -97.6, 2.5 APE12-dist-out 20.3086 APE11-dist-out 20.8314 APE10-dist-out 22.527 APE9-dist-out 28.4868 T165E,S171E None None XRAY 1.464 0.216 0.242 B 309.0 285.0 0 28 28 0 [[17, 274]] 1.0 9czx 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: A1A1B

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