PDB: 7YAW — TKL M3K20_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 100.0% 7YAWA

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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
TKL MAP3K20 M3K20_HUMAN 7YAWA Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Back Inactive DFGin 6.6366 12.5628 BLAplus -107.37, 162.77 70.01, 25.25 -77.69, -20.79 49.78, 78.58 -92.33, -4.17 out-out out 16.9522 Saltbr-out 16.8243 HRD-in -66.81, -58.39 69.73, -5.3 out-out-out SNCooo out-out ActLoopNT-out 5.3454 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -136.19, -36.14 APE9-dihe-na -87.34, 25.43 APE8-dihe-out -120.09, -23.77 APE8-rot-out 63.21 APE67-dihe-in -58.2, -27.12 -48.71, -41.35 APE12-dist-out 16.1855 APE11-dist-in 13.7792 APE10-dist-out 18.6507 APE9-dist-out 12.1535 None None None XRAY 2.1 0.208 0.243 A 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWD Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Back Inactive DFGin 6.0387 12.3501 BLAplus -110.86, 162.98 67.32, 26.82 -75.01, -16.27 51.63, 85.42 -101.64, -3.07 out-out out 16.407 Saltbr-out 12.3921 HRD-in -66.82, -58.27 73.94, -17.87 out-out-out SNCooo out-out ActLoopNT-out 5.8543 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -50.8, -49.33 APE9-dihe-na -74.08, 31.98 APE8-dihe-out -131.38, -38.39 APE8-rot-out 63.81 APE67-dihe-in -59.55, -22.6 -47.42, -42.75 APE12-dist-out 17.8804 APE11-dist-out 14.2837 APE10-dist-out 19.1466 APE9-dist-out 11.9677 None None None XRAY 2.1 0.208 0.243 D 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWB Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Front Inactive DFGin 6.0615 12.8867 BLAplus -112.26, 159.46 66.47, 30.72 -77.06, -4.03 46.81, 82.8 -112.18, 3.53 out-out out 16.1976 Saltbr-out 14.385 HRD-in -68.93, -58.68 76.93, -11.19 out-out-out SNCooo out-out ActLoopNT-out 5.8412 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -56.67, -41.74 APE9-dihe-na -72.55, 0.42 APE8-dihe-out -131.57, -4.4 APE8-rot-out 77.42 APE67-dihe-in -62.57, -21.79 -53.81, -31.98 APE12-dist-out 14.667 APE11-dist-out 14.0274 APE10-dist-out 18.4933 APE9-dist-out 12.4597 None None None XRAY 2.1 0.208 0.243 B 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWC Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Front Inactive DFGin 5.6767 12.9838 BLAplus -105.78, 161.9 66.78, 23.82 -68.46, -14.89 48.8, 88.46 -104.69, -15.53 out-out out 16.0889 Saltbr-out 16.0954 HRD-in -71.18, -58.92 73.09, -4.85 out-out-out SNCooo out-out ActLoopNT-out 5.6164 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -67.62, -51.34 APE9-dihe-na -86.7, 18.29 APE8-dihe-out -115.5, -10.48 APE8-rot-in 308.5 APE67-dihe-in -59.14, -22.29 -53.59, -37.71 APE12-dist-out 14.9863 APE11-dist-in 13.9487 APE10-dist-out 18.3728 APE9-dist-out 12.3026 None None None XRAY 2.1 0.208 0.243 C 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20

PDB: 7YAW — TKL M3K20_HUMAN

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 100.0% 7YAWA

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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
TKL MAP3K20 M3K20_HUMAN 7YAWA Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Back Inactive DFGin 6.6366 12.5628 BLAplus -107.37, 162.77 70.01, 25.25 -77.69, -20.79 49.78, 78.58 -92.33, -4.17 out-out out 16.9522 Saltbr-out 16.8243 HRD-in -66.81, -58.39 69.73, -5.3 out-out-out SNCooo out-out ActLoopNT-out 5.3454 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -136.19, -36.14 APE9-dihe-na -87.34, 25.43 APE8-dihe-out -120.09, -23.77 APE8-rot-out 63.21 APE67-dihe-in -58.2, -27.12 -48.71, -41.35 APE12-dist-out 16.1855 APE11-dist-in 13.7792 APE10-dist-out 18.6507 APE9-dist-out 12.1535 None None None XRAY 2.1 0.208 0.243 A 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw Homo sapiens TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWD Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Back Inactive DFGin 6.0387 12.3501 BLAplus -110.86, 162.98 67.32, 26.82 -75.01, -16.27 51.63, 85.42 -101.64, -3.07 out-out out 16.407 Saltbr-out 12.3921 HRD-in -66.82, -58.27 73.94, -17.87 out-out-out SNCooo out-out ActLoopNT-out 5.8543 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -50.8, -49.33 APE9-dihe-na -74.08, 31.98 APE8-dihe-out -131.38, -38.39 APE8-rot-out 63.81 APE67-dihe-in -59.55, -22.6 -47.42, -42.75 APE12-dist-out 17.8804 APE11-dist-out 14.2837 APE10-dist-out 19.1466 APE9-dist-out 11.9677 None None None XRAY 2.1 0.208 0.243 D 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw Homo sapiens TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWB Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Front Inactive DFGin 6.0615 12.8867 BLAplus -112.26, 159.46 66.47, 30.72 -77.06, -4.03 46.81, 82.8 -112.18, 3.53 out-out out 16.1976 Saltbr-out 14.385 HRD-in -68.93, -58.68 76.93, -11.19 out-out-out SNCooo out-out ActLoopNT-out 5.8412 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oooo APE10-dihe-na -56.67, -41.74 APE9-dihe-na -72.55, 0.42 APE8-dihe-out -131.57, -4.4 APE8-rot-out 77.42 APE67-dihe-in -62.57, -21.79 -53.81, -31.98 APE12-dist-out 14.667 APE11-dist-out 14.0274 APE10-dist-out 18.4933 APE9-dist-out 12.4597 None None None XRAY 2.1 0.208 0.243 B 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw Homo sapiens TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 7YAWC Q9NYL2 8 299 800.0 IGS:60401 Type1.5_Front Inactive DFGin 5.6767 12.9838 BLAplus -105.78, 161.9 66.78, 23.82 -68.46, -14.89 48.8, 88.46 -104.69, -15.53 out-out out 16.0889 Saltbr-out 16.0954 HRD-in -71.18, -58.92 73.09, -4.85 out-out-out SNCooo out-out ActLoopNT-out 5.6164 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -67.62, -51.34 APE9-dihe-na -86.7, 18.29 APE8-dihe-out -115.5, -10.48 APE8-rot-in 308.5 APE67-dihe-in -59.14, -22.29 -53.59, -37.71 APE12-dist-out 14.9863 APE11-dist-in 13.9487 APE10-dist-out 18.3728 APE9-dist-out 12.3026 None None None XRAY 2.1 0.208 0.243 C 310.0 291.0 1 26 25 1 [[16, 262]] 1.0 7yaw Homo sapiens TKL_MAP3K20_HUMAN TKL 1.2e-78 270.4 2.0 266.0 265.0 150 151 152 154 156 45 53 57 130 132 131 133.0 188 176 171 170 169 168 167 166 165 83 Mitogen-activated protein kinase kinase kinase 20

PDB: 7YAW — TKL M3K20_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