Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVFDVHKFDMKKEQDFLQVQFNLKNRINLSPTIHPDSINTCAGVDLAYWEQDGEPYGVCCIIVIDADTKEVIEKVHSMGRIS--VPYVSGFLAFRELPLIIEAAKKLETEPDVFLFDGNGYLHYNHMGVATHAAFFLGKPTIGIAKTYLKIKGCDFVTP-EIEVGAYTDIIIDGEVYGRALRTRRDVKPIFLSCGNYIDLDSSYQITMSLINQESRLPIPVRLADLETHVLRTFYQKNHV 4XPU Chain:A ((10-206)) --------------------QIELASSVIREDRLDKDPPDLIAGADVGF-EQGGE-VTRAAMVLLKYPSLELVE--YKVARIATTMPYIPGFLSFREYPALLAAWEMLSQKPDLVFVDGHGISHPRRLGVASHFGLLVDVPTIGVAKKRL----CGKFEPLSSEPGALAPLMDKGEQLAWVWRSKARCNPLFIATGHRVSVDSALAWVQRCM-KGYRLPEPTRWAD---------------

General information: TITO was launched using: RESULT: Template: 4XPU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1162 -57309 -49.32 -295.41 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -49.32 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4XPU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XPU-query.scw PDB file : Tito_Scwrl_4XPU.pdb: