| 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 | BUB1 | BUB1_HUMAN | AF-O43683-K1A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.8874 | 12.5453 | BLAminus | -124.11, 170.92 | 65.03, 81.73 | -91.31, 15.98 | 298.54, 164.44 | -67.14, -23.03 | in-in | in | 8.0462 | Saltbr-in | 2.6699 | HRD-in | -69.05, -45.13 | 83.02, -19.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8656 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.71, 136.7 | APE9-dihe-na | -69.9, -23.95 | APE8-dihe-in | -86.83, 108.84 | APE8-rot-in | 313.14 | APE67-dihe-in | -72.66, -10.25 | -53.96, -32.87 | APE12-dist-in | 11.4655 | APE11-dist-out | 14.2148 | APE10-dist-out | 10.2589 | APE9-dist-out | 11.4107 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K1 | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| OTHER | BUB1 | BUB1_HUMAN | AF-O43683-K3A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.9829 | 12.6025 | BLAminus | -128.54, -179.59 | 61.18, 57.25 | -71.97, 12.64 | 306.02, 171.57 | -71.12, -26.04 | in-in | in | 8.0654 | Saltbr-in | 2.6803 | HRD-in | -71.31, -42.36 | 83.29, -4.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -66.95, 155.76 | APE9-dihe-na | -65.62, -39.37 | APE8-dihe-in | -84.2, 100.84 | APE8-rot-in | 321.71 | APE67-dihe-in | -71.04, -6.24 | -56.45, -33.95 | APE12-dist-in | 10.0622 | APE11-dist-in | 11.8151 | APE10-dist-in | 7.6352 | APE9-dist-out | 7.3131 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K3 | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| 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 | BUB1 | BUB1_HUMAN | AF-O43683-K1A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.8874 | 12.5453 | BLAminus | -124.11, 170.92 | 65.03, 81.73 | -91.31, 15.98 | 298.54, 164.44 | -67.14, -23.03 | in-in | in | 8.0462 | Saltbr-in | 2.6699 | HRD-in | -69.05, -45.13 | 83.02, -19.12 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.8656 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooo | APE10-dihe-na | -64.71, 136.7 | APE9-dihe-na | -69.9, -23.95 | APE8-dihe-in | -86.83, 108.84 | APE8-rot-in | 313.14 | APE67-dihe-in | -72.66, -10.25 | -53.96, -32.87 | APE12-dist-in | 11.4655 | APE11-dist-out | 14.2148 | APE10-dist-out | 10.2589 | APE9-dist-out | 11.4107 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K1 | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| OTHER | BUB1 | BUB1_HUMAN | AF-O43683-K3A | O43683 | 779 | 1064 | 1085.0 | No_ligand | No_ligand | Inactive | DFGin | 4.9829 | 12.6025 | BLAminus | -128.54, -179.59 | 61.18, 57.25 | -71.97, 12.64 | 306.02, 171.57 | -71.12, -26.04 | in-in | in | 8.0654 | Saltbr-in | 2.6803 | HRD-in | -71.31, -42.36 | 83.29, -4.71 | in-in-out | SNCiio | in-out | ActLoopNT-in | 2.7755 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iiio | APE10-dihe-na | -66.95, 155.76 | APE9-dihe-na | -65.62, -39.37 | APE8-dihe-in | -84.2, 100.84 | APE8-rot-in | 321.71 | APE67-dihe-in | -71.04, -6.24 | -56.45, -33.95 | APE12-dist-in | 10.0622 | APE11-dist-in | 11.8151 | APE10-dist-in | 7.6352 | APE9-dist-out | 7.3131 | None | None | None | AF2 | -1.0 | 1.0 | 1.0 | A | 286.0 | 286.0 | 0 | 30 | 30 | 0 | [[787, 1056]] | 1.0 | AF-O43683-K3 | Homo sapiens | OTHER_BUB1_HUMAN | BUB | 1.8e-136 | 459.4 | 1.0 | 265.0 | 265.0 | 945 | 946 | 947 | 949 | 951 | 821 | 830 | 834 | 914 | 916 | 915 | 917.0 | 987 | 975 | 970 | 969 | 968 | 967 | 966 | 965 | 964 | 867 | Mitotic checkpoint serine/threonine-protein kinase BUB1 |
| 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 |
|---|