Ligand: A1A1C

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% 9CZWA
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 9CZWA Q92918 5 292 833.0 A1A1C:401 Type1 Inactive DFGin 6.4835 14.4469 BLAminus -142.4, 176.37 61.0, 83.2 -91.86, 20.12 285.36, 100.06 -58.94, -45.03 in-in in 8.9655 Saltbr-in 2.7216 HRD-in -79.51, -49.76 66.53, 5.58 in-out-out SNCioo out-out ActLoopNT-out 6.1815 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -76.64, -6.98 APE9-dihe-na 106.64, 178.38 APE8-dihe-in -78.01, 124.7 APE8-rot-in 294.47 APE67-dihe-in -59.5, -32.1 -67.37, -27.03 APE12-dist-out 21.0651 APE11-dist-out 20.8111 APE10-dist-out 20.5539 APE9-dist-out 27.1316 T165E,S171E None None XRAY 1.59 0.191 0.221 A 309.0 288.0 0 28 28 0 [[17, 274]] 1.0 9czw 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 9CZWB Q92918 5 293 833.0 A1A1C:401 Type1 Inactive DFGin 6.2814 14.1947 BLAminus -145.03, 174.12 65.2, 80.3 -86.34, 20.99 291.56, 97.25 -57.8, -48.9 in-in in 9.065 Saltbr-in 2.5811 HRD-in -78.76, -55.32 70.65, 5.05 in-out-out SNCioo out-out ActLoopNT-out 6.1366 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.11, -8.45 APE9-dihe-na 103.65, 171.84 APE8-dihe-in -56.95, 141.18 APE8-rot-out 40.62 APE67-dihe-in -59.63, -31.73 -86.68, -21.16 APE12-dist-out 21.3405 APE11-dist-out 20.8513 APE10-dist-out 20.8599 APE9-dist-out 27.4941 T165E,S171E None None XRAY 1.59 0.191 0.221 B 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czw 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: A1A1C

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% 9CZWA
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 9CZWA Q92918 5 292 833.0 A1A1C:401 Type1 Inactive DFGin 6.4835 14.4469 BLAminus -142.4, 176.37 61.0, 83.2 -91.86, 20.12 285.36, 100.06 -58.94, -45.03 in-in in 8.9655 Saltbr-in 2.7216 HRD-in -79.51, -49.76 66.53, 5.58 in-out-out SNCioo out-out ActLoopNT-out 6.1815 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -76.64, -6.98 APE9-dihe-na 106.64, 178.38 APE8-dihe-in -78.01, 124.7 APE8-rot-in 294.47 APE67-dihe-in -59.5, -32.1 -67.37, -27.03 APE12-dist-out 21.0651 APE11-dist-out 20.8111 APE10-dist-out 20.5539 APE9-dist-out 27.1316 T165E,S171E None None XRAY 1.59 0.191 0.221 A 309.0 288.0 0 28 28 0 [[17, 274]] 1.0 9czw 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 9CZWB Q92918 5 293 833.0 A1A1C:401 Type1 Inactive DFGin 6.2814 14.1947 BLAminus -145.03, 174.12 65.2, 80.3 -86.34, 20.99 291.56, 97.25 -57.8, -48.9 in-in in 9.065 Saltbr-in 2.5811 HRD-in -78.76, -55.32 70.65, 5.05 in-out-out SNCioo out-out ActLoopNT-out 6.1366 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.11, -8.45 APE9-dihe-na 103.65, 171.84 APE8-dihe-in -56.95, 141.18 APE8-rot-out 40.62 APE67-dihe-in -59.63, -31.73 -86.68, -21.16 APE12-dist-out 21.3405 APE11-dist-out 20.8513 APE10-dist-out 20.8599 APE9-dist-out 27.4941 T165E,S171E None None XRAY 1.59 0.191 0.221 B 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czw 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: A1A1C

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