Ligand: 4KA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4KABB
DFGin None 1 50.0% 4KABA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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
TYR PTK2 FAK1_HUMAN 4KABB Q05397 414 684 1052.0 4KA:701 Type1 Inactive DFGin 6.5701 15.7381 BLAminus -121.46, -160.12 49.21, 75.34 -97.29, 8.37 281.34, 75.31 -102.38, -7.12 in-in in 7.7172 Saltbr-in 3.0332 HRD-in -73.34, -42.86 75.98, -10.51 in-out-out SNCioo out-out ActLoopNT-out 12.701 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.03 APE8-dihe-in -79.93, 66.69 APE8-rot-na 28.5 APE67-dihe-in -72.71, -9.14 -55.44, -38.64 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.8229 None None None XRAY 2.71 0.173 0.219 B 279.0 258.0 13 29 17 12 [[422, 678]] 1.0 4kab TYR_PTK2_HUMAN TYR 3.4e-93 317.6 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_HUMAN 4KABA Q05397 412 686 1052.0 4KA:701 Type1 Inactive DFGin 6.3904 15.555 None -111.52, -14.16 -107.87, 122.87 -138.65, 999.0 293.6, 93.91 999.0, 999.0 in-in in 7.7049 Saltbr-in 3.0591 HRD-in -73.14, -43.25 75.58, -10.35 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 122.68 APE8-dihe-in -81.37, 68.28 APE8-rot-na 28.59 APE67-dihe-in -69.97, -11.06 -55.99, -40.09 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.5399 None None None XRAY 2.71 0.173 0.219 A 279.0 255.0 20 29 11 18 [[422, 678]] 1.0 4kab TYR_PTK2_HUMAN TYR 3.4e-93 317.6 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1

Ligand: 4KA

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4KABB
DFGin None 1 50.0% 4KABA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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
TYR PTK2 FAK1_HUMAN 4KABB Q05397 414 684 1052.0 4KA:701 Type1 Inactive DFGin 6.5701 15.7381 BLAminus -121.46, -160.12 49.21, 75.34 -97.29, 8.37 281.34, 75.31 -102.38, -7.12 in-in in 7.7172 Saltbr-in 3.0332 HRD-in -73.34, -42.86 75.98, -10.51 in-out-out SNCioo out-out ActLoopNT-out 12.701 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 124.03 APE8-dihe-in -79.93, 66.69 APE8-rot-na 28.5 APE67-dihe-in -72.71, -9.14 -55.44, -38.64 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.8229 None None None XRAY 2.71 0.173 0.219 B 279.0 258.0 13 29 17 12 [[422, 678]] 1.0 4kab Homo sapiens TYR_PTK2_HUMAN TYR 3.4e-93 317.6 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_HUMAN 4KABA Q05397 412 686 1052.0 4KA:701 Type1 Inactive DFGin 6.3904 15.555 None -111.52, -14.16 -107.87, 122.87 -138.65, 999.0 293.6, 93.91 999.0, 999.0 in-in in 7.7049 Saltbr-in 3.0591 HRD-in -73.14, -43.25 75.58, -10.35 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 122.68 APE8-dihe-in -81.37, 68.28 APE8-rot-na 28.59 APE67-dihe-in -69.97, -11.06 -55.99, -40.09 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.5399 None None None XRAY 2.71 0.173 0.219 A 279.0 255.0 20 29 11 18 [[422, 678]] 1.0 4kab Homo sapiens TYR_PTK2_HUMAN TYR 3.4e-93 317.6 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1

Ligand: 4KA

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

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