| 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 | CHEK2 | CHK2_HUMAN | 3I6UA | O96017 | 89 | 501 | 543.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3728 | 13.8281 | BLAplus | -145.58, 171.6 | 61.21, 49.14 | -102.23, -43.96 | 37.5, 82.48 | -103.81, -9.28 | out-none | out | 13.9661 | Saltbr-none | 999.0 | HRD-in | -61.53, -58.97 | 79.71, -12.85 | none-out-none | SNCnon | out-none | ActLoopNT-out | 7.5635 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -48.02, -23.93 | 999.0, -21.46 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | K249R | None | None | XRAY | 3.0 | 0.247 | 0.28 | A | 419.0 | 390.0 | 23 | 27 | 16 | 11 | [[220, 486]] | 1.0 | 3i6u | CAMK_CHEK2_HUMAN | CAMK | 6.3e-84 | 287.4 | 1.0 | 256.0 | 256.0 | 367 | 368 | 369 | 371 | 373 | 249 | 273 | 277 | 344 | 346 | 345 | 347.0 | 409 | 394 | 389 | 388 | 387 | 386 | 385 | 384 | 383 | 302 | Serine/threonine-protein kinase Chk2 |
| CAMK | CHEK2 | CHK2_HUMAN | 3I6UB | O96017 | 89 | 501 | 543.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1563 | 12.4796 | None | -142.78, 168.99 | 70.83, 76.16 | -115.43, 999.0 | 26.14, 78.04 | 999.0, 999.0 | out-none | out | 13.9532 | Saltbr-none | 999.0 | HRD-in | -61.77, -58.18 | 77.91, -11.36 | none-none-none | SNCnnn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -48.92, -23.0 | 999.0, -21.53 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | K249R | None | None | XRAY | 3.0 | 0.247 | 0.28 | B | 419.0 | 376.0 | 37 | 27 | 9 | 18 | [[220, 486]] | 1.0 | 3i6u | CAMK_CHEK2_HUMAN | CAMK | 6.3e-84 | 287.4 | 1.0 | 256.0 | 256.0 | 367 | 368 | 369 | 371 | 373 | 249 | 273 | 277 | 344 | 346 | 345 | 347.0 | 409 | 394 | 389 | 388 | 387 | 386 | 385 | 384 | 383 | 302 | Serine/threonine-protein kinase Chk2 |
| 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 | CHEK2 | CHK2_HUMAN | 3I6UA | O96017 | 89 | 501 | 543.0 | No_ligand | No_ligand | Inactive | DFGin | 6.3728 | 13.8281 | BLAplus | -145.58, 171.6 | 61.21, 49.14 | -102.23, -43.96 | 37.5, 82.48 | -103.81, -9.28 | out-none | out | 13.9661 | Saltbr-none | 999.0 | HRD-in | -61.53, -58.97 | 79.71, -12.85 | none-out-none | SNCnon | out-none | ActLoopNT-out | 7.5635 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -48.02, -23.93 | 999.0, -21.46 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | K249R | None | None | XRAY | 3.0 | 0.247 | 0.28 | A | 419.0 | 390.0 | 23 | 27 | 16 | 11 | [[220, 486]] | 1.0 | 3i6u | Homo sapiens | CAMK_CHEK2_HUMAN | CAMK | 6.3e-84 | 287.4 | 1.0 | 256.0 | 256.0 | 367 | 368 | 369 | 371 | 373 | 249 | 273 | 277 | 344 | 346 | 345 | 347.0 | 409 | 394 | 389 | 388 | 387 | 386 | 385 | 384 | 383 | 302 | Serine/threonine-protein kinase Chk2 |
| CAMK | CHEK2 | CHK2_HUMAN | 3I6UB | O96017 | 89 | 501 | 543.0 | No_ligand | No_ligand | Inactive | DFGin | 6.1563 | 12.4796 | None | -142.78, 168.99 | 70.83, 76.16 | -115.43, 999.0 | 26.14, 78.04 | 999.0, 999.0 | out-none | out | 13.9532 | Saltbr-none | 999.0 | HRD-in | -61.77, -58.18 | 77.91, -11.36 | none-none-none | SNCnnn | none-none | ActLoopNT-none | 999.0 | ActLoopCT-none | nonTYR | APEdihe_aannn | APEdist_nnnn | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 999.0 | APE8-dihe-none | 999.0, 999.0 | APE8-rot-none | 999.0 | APE67-dihe-none | -48.92, -23.0 | 999.0, -21.53 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-none | 999.0 | K249R | None | None | XRAY | 3.0 | 0.247 | 0.28 | B | 419.0 | 376.0 | 37 | 27 | 9 | 18 | [[220, 486]] | 1.0 | 3i6u | Homo sapiens | CAMK_CHEK2_HUMAN | CAMK | 6.3e-84 | 287.4 | 1.0 | 256.0 | 256.0 | 367 | 368 | 369 | 371 | 373 | 249 | 273 | 277 | 344 | 346 | 345 | 347.0 | 409 | 394 | 389 | 388 | 387 | 386 | 385 | 384 | 383 | 302 | Serine/threonine-protein kinase Chk2 |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| 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 |
|---|