| 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 | ACVR1 | ACVR1_HUMAN | 5S80A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3137 | 13.3058 | BLAminus | -112.55, 159.81 | 78.34, 88.26 | -99.06, 22.42 | 300.25, 0.46 | -63.75, -19.98 | in-out | in | 9.0251 | Saltbr-out | 5.8825 | HRD-in | -76.34, -54.31 | 74.73, 2.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9057 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -128.9, 168.55 | APE9-dihe-na | -54.89, 157.92 | APE8-dihe-in | -57.52, 122.86 | APE8-rot-in | 308.47 | APE67-dihe-in | -52.78, -30.68 | -62.36, -41.16 | APE12-dist-none | 999.0 | APE11-dist-out | 6.1425 | APE10-dist-out | 8.7825 | APE9-dist-in | 3.7345 | Q207D | None | None | XRAY | 1.67 | 0.197 | 0.231 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s80 | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| TKL | ACVR1 | ACVR1_HUMAN | 5S80B | Q04771 | 205 | 499 | 509.0 | LU8:501,XGM:505,XGM:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0267 | 13.5533 | BLAminus | -130.83, 163.29 | 75.8, 86.12 | -98.93, 18.93 | 301.48, 172.59 | -65.51, -18.83 | in-out | in | 8.9692 | Saltbr-out | 4.718 | HRD-in | -78.19, -55.2 | 81.16, -3.45 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8547 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.24, 160.71 | APE9-dihe-na | -59.43, 165.2 | APE8-dihe-in | -58.98, 127.47 | APE8-rot-in | 308.35 | APE67-dihe-in | -58.04, -28.7 | -56.74, -44.6 | APE12-dist-in | 10.4101 | APE11-dist-out | 6.1264 | APE10-dist-out | 9.0862 | APE9-dist-in | 3.8114 | Q207D | None | None | XRAY | 1.67 | 0.197 | 0.231 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s80 | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| 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 | ACVR1 | ACVR1_HUMAN | 5S80A | Q04771 | 202 | 499 | 509.0 | LU8:501,LU8:508,LU8:509 | Type1,Allosteric,Allosteric | Inactive | DFGin | 8.3137 | 13.3058 | BLAminus | -112.55, 159.81 | 78.34, 88.26 | -99.06, 22.42 | 300.25, 0.46 | -63.75, -19.98 | in-out | in | 9.0251 | Saltbr-out | 5.8825 | HRD-in | -76.34, -54.31 | 74.73, 2.06 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.9057 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_nooi | APE10-dihe-na | -128.9, 168.55 | APE9-dihe-na | -54.89, 157.92 | APE8-dihe-in | -57.52, 122.86 | APE8-rot-in | 308.47 | APE67-dihe-in | -52.78, -30.68 | -62.36, -41.16 | APE12-dist-none | 999.0 | APE11-dist-out | 6.1425 | APE10-dist-out | 8.7825 | APE9-dist-in | 3.7345 | Q207D | None | None | XRAY | 1.67 | 0.197 | 0.231 | A | 301.0 | 283.0 | 15 | 32 | 19 | 13 | [[207, 497]] | 1.0 | 5s80 | Homo sapiens | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| TKL | ACVR1 | ACVR1_HUMAN | 5S80B | Q04771 | 205 | 499 | 509.0 | LU8:501,XGM:505,XGM:506 | Type1,Allosteric,Allosteric | Inactive | DFGin | 7.0267 | 13.5533 | BLAminus | -130.83, 163.29 | 75.8, 86.12 | -98.93, 18.93 | 301.48, 172.59 | -65.51, -18.83 | in-out | in | 8.9692 | Saltbr-out | 4.718 | HRD-in | -78.19, -55.2 | 81.16, -3.45 | out-in-out | SNCoio | in-out | ActLoopNT-in | 2.8547 | ActLoopCT-out | nonTYR | APEdihe_aaiii | APEdist_iooi | APE10-dihe-na | -122.24, 160.71 | APE9-dihe-na | -59.43, 165.2 | APE8-dihe-in | -58.98, 127.47 | APE8-rot-in | 308.35 | APE67-dihe-in | -58.04, -28.7 | -56.74, -44.6 | APE12-dist-in | 10.4101 | APE11-dist-out | 6.1264 | APE10-dist-out | 9.0862 | APE9-dist-in | 3.8114 | Q207D | None | None | XRAY | 1.67 | 0.197 | 0.231 | B | 301.0 | 292.0 | 3 | 32 | 32 | 0 | [[207, 497]] | 1.0 | 5s80 | Homo sapiens | TKL_ACVR1_HUMAN | TKL | 1.9e-85 | 292.5 | 2.0 | 267.0 | 266.0 | 353 | 354 | 355 | 357 | 359 | 235 | 248 | 252 | 333 | 335 | 334 | 336.0 | 403 | 385 | 380 | 379 | 378 | 377 | 376 | 375 | 374 | 284 | Activin receptor type-1 |
| 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 |
|---|