PDB: 9CZU — STE M4K1_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9CZUA

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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 9CZUA Q92918 5 293 833.0 A1A1D:402 Type1 Inactive DFGin 6.489 14.3514 BLAminus -137.75, 175.2 60.15, 86.19 -93.64, 18.19 290.54, 89.04 -56.44, -52.47 in-in in 9.0372 Saltbr-in 2.728 HRD-in -75.08, -47.99 65.32, -1.97 in-out-out SNCioo out-out ActLoopNT-out 6.3623 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.17, -48.47 APE9-dihe-na 84.19, -157.27 APE8-dihe-in -72.64, 141.86 APE8-rot-out 43.34 APE67-dihe-in -57.98, -25.96 -98.31, -2.0 APE12-dist-out 20.2257 APE11-dist-out 21.2155 APE10-dist-out 21.6894 APE9-dist-out 27.932 T165E,S171E None None XRAY 1.85 0.198 0.248 A 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czu 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 9CZUB Q92918 5 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.6265 14.256 BLAminus -142.58, 175.68 62.6, 83.65 -94.25, 18.74 283.17, 98.7 -57.67, -46.92 in-in in 8.9411 Saltbr-in 2.7105 HRD-in -79.54, -50.09 64.64, 8.44 in-out-out SNCioo out-out ActLoopNT-out 6.227 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -43.64, -23.49 APE9-dihe-na -83.63, -155.02 APE8-dihe-in -111.85, 117.82 APE8-rot-out 188.67 APE67-dihe-in -63.02, -29.49 -59.84, -30.8 APE12-dist-none 999.0 APE11-dist-out 21.237 APE10-dist-out 22.5314 APE9-dist-out 27.3033 T165E,S171E None None XRAY 1.85 0.198 0.248 B 309.0 281.0 8 28 25 3 [[17, 274]] 1.0 9czu 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 9CZUC Q92918 2 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.442 14.0947 BLAminus -139.71, -179.22 60.34, 85.98 -94.91, 23.99 287.04, 94.1 -63.75, -52.11 in-in in 8.7779 Saltbr-in 2.8186 HRD-in -74.72, -51.25 65.43, 3.35 in-out-out SNCioo out-out ActLoopNT-out 6.0984 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.95, -44.47 APE9-dihe-na 71.68, -170.18 APE8-dihe-in -74.3, 141.89 APE8-rot-out 51.45 APE67-dihe-in -58.88, -33.48 -102.84, 6.18 APE12-dist-out 19.7962 APE11-dist-out 21.474 APE10-dist-out 22.3298 APE9-dist-out 28.4478 T165E,S171E None None XRAY 1.85 0.198 0.248 C 309.0 287.0 5 28 28 0 [[17, 274]] 1.0 9czu 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 9CZUD Q92918 8 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.5368 14.1238 BLAminus -133.54, 178.66 62.04, 84.09 -97.33, 23.34 283.9, 99.03 -63.9, -49.28 in-in in 8.6407 Saltbr-in 2.8123 HRD-in -74.93, -53.89 72.23, 2.08 in-out-out SNCioo out-out ActLoopNT-out 6.125 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -62.67, -39.85 APE9-dihe-na 75.44, -164.27 APE8-dihe-in -73.76, 140.22 APE8-rot-out 49.21 APE67-dihe-in -59.67, -27.82 -103.43, 3.8 APE12-dist-out 19.3344 APE11-dist-out 20.7102 APE10-dist-out 22.0313 APE9-dist-out 28.5463 T165E,S171E None None XRAY 1.85 0.198 0.248 D 309.0 282.0 4 28 28 0 [[17, 274]] 1.0 9czu 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

PDB: 9CZU — STE M4K1_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 9CZUA

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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 9CZUA Q92918 5 293 833.0 A1A1D:402 Type1 Inactive DFGin 6.489 14.3514 BLAminus -137.75, 175.2 60.15, 86.19 -93.64, 18.19 290.54, 89.04 -56.44, -52.47 in-in in 9.0372 Saltbr-in 2.728 HRD-in -75.08, -47.99 65.32, -1.97 in-out-out SNCioo out-out ActLoopNT-out 6.3623 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.17, -48.47 APE9-dihe-na 84.19, -157.27 APE8-dihe-in -72.64, 141.86 APE8-rot-out 43.34 APE67-dihe-in -57.98, -25.96 -98.31, -2.0 APE12-dist-out 20.2257 APE11-dist-out 21.2155 APE10-dist-out 21.6894 APE9-dist-out 27.932 T165E,S171E None None XRAY 1.85 0.198 0.248 A 309.0 289.0 0 28 28 0 [[17, 274]] 1.0 9czu 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 9CZUB Q92918 5 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.6265 14.256 BLAminus -142.58, 175.68 62.6, 83.65 -94.25, 18.74 283.17, 98.7 -57.67, -46.92 in-in in 8.9411 Saltbr-in 2.7105 HRD-in -79.54, -50.09 64.64, 8.44 in-out-out SNCioo out-out ActLoopNT-out 6.227 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -43.64, -23.49 APE9-dihe-na -83.63, -155.02 APE8-dihe-in -111.85, 117.82 APE8-rot-out 188.67 APE67-dihe-in -63.02, -29.49 -59.84, -30.8 APE12-dist-none 999.0 APE11-dist-out 21.237 APE10-dist-out 22.5314 APE9-dist-out 27.3033 T165E,S171E None None XRAY 1.85 0.198 0.248 B 309.0 281.0 8 28 25 3 [[17, 274]] 1.0 9czu 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 9CZUC Q92918 2 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.442 14.0947 BLAminus -139.71, -179.22 60.34, 85.98 -94.91, 23.99 287.04, 94.1 -63.75, -52.11 in-in in 8.7779 Saltbr-in 2.8186 HRD-in -74.72, -51.25 65.43, 3.35 in-out-out SNCioo out-out ActLoopNT-out 6.0984 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -70.95, -44.47 APE9-dihe-na 71.68, -170.18 APE8-dihe-in -74.3, 141.89 APE8-rot-out 51.45 APE67-dihe-in -58.88, -33.48 -102.84, 6.18 APE12-dist-out 19.7962 APE11-dist-out 21.474 APE10-dist-out 22.3298 APE9-dist-out 28.4478 T165E,S171E None None XRAY 1.85 0.198 0.248 C 309.0 287.0 5 28 28 0 [[17, 274]] 1.0 9czu 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 9CZUD Q92918 8 293 833.0 A1A1D:401 Type1 Inactive DFGin 6.5368 14.1238 BLAminus -133.54, 178.66 62.04, 84.09 -97.33, 23.34 283.9, 99.03 -63.9, -49.28 in-in in 8.6407 Saltbr-in 2.8123 HRD-in -74.93, -53.89 72.23, 2.08 in-out-out SNCioo out-out ActLoopNT-out 6.125 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -62.67, -39.85 APE9-dihe-na 75.44, -164.27 APE8-dihe-in -73.76, 140.22 APE8-rot-out 49.21 APE67-dihe-in -59.67, -27.82 -103.43, 3.8 APE12-dist-out 19.3344 APE11-dist-out 20.7102 APE10-dist-out 22.0313 APE9-dist-out 28.5463 T165E,S171E None None XRAY 1.85 0.198 0.248 D 309.0 282.0 4 28 28 0 [[17, 274]] 1.0 9czu 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

PDB: 9CZU — STE M4K1_HUMAN

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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