Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFKSGFVAILGRPNVGKSTFLNHVMGQKIAIMSDKAQTTRNKIMGIYTTDKEQIVFIDTPGIHKPKTALGDFMVESAYSTLREVDTVLFMVPADEARGKGDDMIIERLKAAKVPVILVVNKIDKVHPDQLLSQIDDFRNQMDFKEIVPISALQGNNVSRLVDILSENLDEGFQYFPSDQITDHPERFLVSEMVREKVLHLTREEIPHSVAVVVDSMKRDEETDKVHIRATIMVERDSQKGIIIGKGGAMLKKIGSMARRDIELMLGDKVFLETWVKVKKNWRDKKLDLADFGYNEREY 4DCU Chain:A ((26-189)) -------VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL------------YDFYS-LGFGEPYPISGTHGLGLGDLLDAVAEHF----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DCU.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 : 656 -110971 -169.16 -840.69 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -169.16 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_4DCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DCU-query.scw PDB file : Tito_Scwrl_4DCU.pdb: