Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------MIQWWQILLLTLYSAY-QICDELTI---------------VSSAGSPVFAG--------FITGLIMGDVTTGLLIGGNLQLFVLGVGTFGGASRIDATSGAVLAT-AFSVS------QGIDAPLAITTIAVPVAALLTYFDVLGRMTTTFFAHRVDAAIERFDYKGIERNYLLGAIPWALSRALPVFFALAFGGAFVQSVVDFVEAYKWVADGLTLAGRMLPGLGFAILLRYLPVKRNLHYLAMGFGLTAML----TVLYSYVTGLGG------AVAGIVGTLPAEVAQKIGFVNNFKGLSMIGISIVGIFLAVLHFKNSQKVAVAAPSTPS-ESGEIEDDEF 5K4B Chain:A ((3-368)) SVTVRPDWVTIEEMDFPRLSKLTLPGVKEGEDVLCCGAVEYYDKSYDRVNVKNEKPLQRIDRIFHTVTTTDDPVIRKLSKTEGNVYATDAILATIMCCTRSNYSWDIVIEKIGNKLFFDKRDNTEFDLLTVNETSVEPPQDDGNSLNSPRNLALEATFINHNFSQQ-VLKSNEPRYKFDEPNPFISEEEEGEVA-SVAYRYRKWDLNNGITLIARCEHD-AVMQTQFLTIKALNEWDSKLANGVEWRRKLDTQRGAVLANELRNNACKLAKWTVQALLAGSDQLKFGYVSRASVRDSSKHVILETQQYKPNEFATQINL--NMDNAWGILRCIIDICMNQ---KDGKYLIMKDPNKPMIRLYDIPDNTF

General information: TITO was launched using: RESULT: Template: 5K4B.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 : 1389 -65545 -47.19 -223.70 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -47.19 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_5K4B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K4B-query.scw PDB file : Tito_Scwrl_5K4B.pdb: