PDB: 4TYH — 2 kinases

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

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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
CAMK MAPKAPK2 MAPK2_HUMAN 4TYHA P49137 51 400 400.0 No_ligand No_ligand Inactive DFGin 4.4411 14.3253 BLAminus -142.08, 171.7 55.29, 109.24 -104.89, 23.52 273.51, 53.57 -64.22, -15.92 out-out out 11.187 Saltbr-out 3.9933 HRD-out -83.42, 132.47 -122.22, 37.78 out-in-out SNCoio in-out ActLoopNT-in 2.9359 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_oooo APE10-dihe-na -76.48, -33.25 APE9-dihe-na -107.91, 124.37 APE8-dihe-in -138.48, 156.89 APE8-rot-out 74.08 APE67-dihe-out -72.03, -25.61 -71.89, 168.09 APE12-dist-out 28.1966 APE11-dist-out 33.4614 APE10-dist-out 36.0054 APE9-dist-out 33.0648 None None None XRAY 3.0 0.232 0.313 A 350.0 339.0 11 27 27 0 [[63, 325]] 1.0 4tyh CAMK_MAPKAPK2_HUMAN CAMK 4.4e-80 274.8 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2

PDB: 4TYH — 2 kinases

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4TYHA

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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
CAMK MAPKAPK2 MAPK2_HUMAN 4TYHA P49137 51 400 400.0 No_ligand No_ligand Inactive DFGin 4.4411 14.3253 BLAminus -142.08, 171.7 55.29, 109.24 -104.89, 23.52 273.51, 53.57 -64.22, -15.92 out-out out 11.187 Saltbr-out 3.9933 HRD-out -83.42, 132.47 -122.22, 37.78 out-in-out SNCoio in-out ActLoopNT-in 2.9359 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_oooo APE10-dihe-na -76.48, -33.25 APE9-dihe-na -107.91, 124.37 APE8-dihe-in -138.48, 156.89 APE8-rot-out 74.08 APE67-dihe-out -72.03, -25.61 -71.89, 168.09 APE12-dist-out 28.1966 APE11-dist-out 33.4614 APE10-dist-out 36.0054 APE9-dist-out 33.0648 None None None XRAY 3.0 0.232 0.313 A 350.0 339.0 11 27 27 0 [[63, 325]] 1.0 4tyh Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 4.4e-80 274.8 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CMGC MAPK14 MK14_MOUSE 4TYHB P47811 6 353 360.0 39G:401 Type1.5_Back Inactive DFGin 7.39 16.0222 BLAminus -100.73, 158.14 81.52, 87.17 -105.84, 20.18 292.32, 72.56 -57.61, -46.84 out-out out 10.7337 Saltbr-out 5.5492 HRD-in -67.8, -42.55 76.87, -55.38 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iioo APE10-dihe-na -132.03, 125.28 APE9-dihe-na -64.76, -61.75 APE8-dihe-in -121.75, 174.44 APE8-rot-out 56.39 APE67-dihe-out -76.5, -21.76 -153.78, 65.22 APE12-dist-in 10.0478 APE11-dist-in 12.7972 APE10-dist-out 9.8392 APE9-dist-out 12.8344 None None None XRAY 3.0 0.232 0.313 B 348.0 335.0 13 25 17 8 [[24, 308]] 1.0 4tyh Mus musculus CMGC_MAPK14_MOUSE CMGC 1.7e-85 292.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

PDB: 4TYH — 2 kinases

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

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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
CMGC MAPK14 MK14_MOUSE 4TYHB P47811 6 353 360.0 39G:401 Type1.5_Back Inactive DFGin 7.39 16.0222 BLAminus -100.73, 158.14 81.52, 87.17 -105.84, 20.18 292.32, 72.56 -57.61, -46.84 out-out out 10.7337 Saltbr-out 5.5492 HRD-in -67.8, -42.55 76.87, -55.38 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_iioo APE10-dihe-na -132.03, 125.28 APE9-dihe-na -64.76, -61.75 APE8-dihe-in -121.75, 174.44 APE8-rot-out 56.39 APE67-dihe-out -76.5, -21.76 -153.78, 65.22 APE12-dist-in 10.0478 APE11-dist-in 12.7972 APE10-dist-out 9.8392 APE9-dist-out 12.8344 None None None XRAY 3.0 0.232 0.313 B 348.0 335.0 13 25 17 8 [[24, 308]] 1.0 4tyh Mus musculus CMGC_MAPK14_MOUSE CMGC 1.7e-85 292.9 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14