| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | TTK | TTK_HUMAN | 5NTTA | P33981 | 519 | 797 | 857.0 | SVE:60801 | Type1 | Inactive | DFGin | 4.0498 | 15.1203 | ABAminus | -86.34, -42.9 | -137.69, 167.25 | -111.84, 11.03 | 299.57, 162.1 | 66.85, 16.85 | out-out | out | 10.9798 | Saltbr-out | 5.9222 | HRD-in | -63.1, -49.38 | 74.04, 9.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5008 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_oooo | APE10-dihe-na | -72.45, -49.0 | APE9-dihe-na | -71.51, -26.39 | APE8-dihe-in | -34.25, 137.42 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.38, -17.02 | -109.78, 8.89 | APE12-dist-out | 22.2734 | APE11-dist-out | 18.5318 | APE10-dist-out | 15.6898 | APE9-dist-out | 11.5508 | C604Y | TPO686 | TPO686 | XRAY | 2.75 | 0.201 | 0.23 | A | 287.0 | 269.0 | 10 | 30 | 30 | 0 | [[525, 791]] | 1.0 | 5ntt | OTHER_TTK_HUMAN | CAMK | 4.2e-54 | 189.5 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| OTHER | TTK | TTK_HUMAN | 5AP7A | P33981 | 519 | 794 | 857.0 | SVE:61795 | Type1 | Inactive | DFGin | 4.0075 | 15.0106 | ABAminus | -75.4, -47.55 | -134.63, 175.4 | -113.35, 2.93 | 298.14, 169.12 | 68.03, 11.08 | out-out | out | 11.2161 | Saltbr-out | 6.2883 | HRD-in | -53.42, -53.82 | 66.3, 10.85 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4759 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -94.63 | APE9-dihe-na | -108.3, 120.24 | APE8-dihe-in | -73.36, 151.59 | APE8-rot-out | 193.39 | APE67-dihe-in | -46.84, -28.38 | -104.91, -10.44 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.4934 | APE9-dist-out | 10.1157 | C604W | None | None | XRAY | 2.45 | 0.188 | 0.234 | A | 313.0 | 253.0 | 23 | 30 | 20 | 10 | [[525, 791]] | 1.0 | 5ap7 | OTHER_TTK_HUMAN | CAMK | 2.5e-53 | 187.1 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| OTHER | TTK | TTK_HUMAN | 2X9EA | P33981 | 515 | 795 | 857.0 | SVE:1796 | Type1 | Inactive | DFGin | 3.5234 | 14.6918 | ABAminus | -97.78, -42.88 | -144.87, 174.21 | -107.75, 2.72 | 297.55, 168.15 | 71.6, 31.63 | out-out | out | 11.0537 | Saltbr-out | 5.6713 | HRD-in | -68.71, -48.71 | 69.68, -10.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5166 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 32.06 | APE8-dihe-in | -85.14, 170.49 | APE8-rot-out | 171.47 | APE67-dihe-in | -39.15, -60.16 | -95.37, -10.13 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.7324 | None | None | None | XRAY | 3.1 | 0.215 | 0.306 | A | 317.0 | 254.0 | 27 | 30 | 15 | 15 | [[525, 791]] | 1.0 | 2x9e | OTHER_TTK_HUMAN | CAMK | 8.7e-54 | 188.5 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OTHER | TTK | TTK_HUMAN | 5NTTA | P33981 | 519 | 797 | 857.0 | SVE:60801 | Type1 | Inactive | DFGin | 4.0498 | 15.1203 | ABAminus | -86.34, -42.9 | -137.69, 167.25 | -111.84, 11.03 | 299.57, 162.1 | 66.85, 16.85 | out-out | out | 10.9798 | Saltbr-out | 5.9222 | HRD-in | -63.1, -49.38 | 74.04, 9.83 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5008 | ActLoopCT-out | nonTYR | APEdihe_aaini | APEdist_oooo | APE10-dihe-na | -72.45, -49.0 | APE9-dihe-na | -71.51, -26.39 | APE8-dihe-in | -34.25, 137.42 | APE8-rot-none | 999.0 | APE67-dihe-in | -68.38, -17.02 | -109.78, 8.89 | APE12-dist-out | 22.2734 | APE11-dist-out | 18.5318 | APE10-dist-out | 15.6898 | APE9-dist-out | 11.5508 | C604Y | TPO686 | TPO686 | XRAY | 2.75 | 0.201 | 0.23 | A | 287.0 | 269.0 | 10 | 30 | 30 | 0 | [[525, 791]] | 1.0 | 5ntt | Homo sapiens | OTHER_TTK_HUMAN | CAMK | 4.2e-54 | 189.5 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| OTHER | TTK | TTK_HUMAN | 5AP7A | P33981 | 519 | 794 | 857.0 | SVE:61795 | Type1 | Inactive | DFGin | 4.0075 | 15.0106 | ABAminus | -75.4, -47.55 | -134.63, 175.4 | -113.35, 2.93 | 298.14, 169.12 | 68.03, 11.08 | out-out | out | 11.2161 | Saltbr-out | 6.2883 | HRD-in | -53.42, -53.82 | 66.3, 10.85 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.4759 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnoo | APE10-dihe-na | 999.0, -94.63 | APE9-dihe-na | -108.3, 120.24 | APE8-dihe-in | -73.36, 151.59 | APE8-rot-out | 193.39 | APE67-dihe-in | -46.84, -28.38 | -104.91, -10.44 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-out | 17.4934 | APE9-dist-out | 10.1157 | C604W | None | None | XRAY | 2.45 | 0.188 | 0.234 | A | 313.0 | 253.0 | 23 | 30 | 20 | 10 | [[525, 791]] | 1.0 | 5ap7 | Homo sapiens | OTHER_TTK_HUMAN | CAMK | 2.5e-53 | 187.1 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| OTHER | TTK | TTK_HUMAN | 2X9EA | P33981 | 515 | 795 | 857.0 | SVE:1796 | Type1 | Inactive | DFGin | 3.5234 | 14.6918 | ABAminus | -97.78, -42.88 | -144.87, 174.21 | -107.75, 2.72 | 297.55, 168.15 | 71.6, 31.63 | out-out | out | 11.0537 | Saltbr-out | 5.6713 | HRD-in | -68.71, -48.71 | 69.68, -10.51 | out-out-out | SNCooo | out-out | ActLoopNT-out | 11.5166 | ActLoopCT-out | nonTYR | APEdihe_aaioi | APEdist_nnno | APE10-dihe-na | 999.0, 999.0 | APE9-dihe-na | 999.0, 32.06 | APE8-dihe-in | -85.14, 170.49 | APE8-rot-out | 171.47 | APE67-dihe-in | -39.15, -60.16 | -95.37, -10.13 | APE12-dist-none | 999.0 | APE11-dist-none | 999.0 | APE10-dist-none | 999.0 | APE9-dist-out | 11.7324 | None | None | None | XRAY | 3.1 | 0.215 | 0.306 | A | 317.0 | 254.0 | 27 | 30 | 15 | 15 | [[525, 791]] | 1.0 | 2x9e | Homo sapiens | OTHER_TTK_HUMAN | CAMK | 8.7e-54 | 188.5 | 1.0 | 256.0 | 256.0 | 663 | 664 | 665 | 667 | 669 | 553 | 571 | 575 | 644 | 646 | 645 | 647.0 | 716 | 693 | 688 | 687 | 686 | 685 | 684 | 683 | 682 | 603 | Dual specificity protein kinase TTK |
| 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 |
|---|