Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELFKYMEKYDYEQLVFCQDEQSGLKAIIAIHDTTLGPALGGTRMWTYENEEAAIEDALRLARGMTYKNAAAGLNLGGGKTVIIGDPRKD---KNEEMFRAFGRYIQGLN--GRYITAEDVGTTVEDMDIIHDE---------TDYVTGISPAFGSSGNPSPVTAYGVYRGMKAAAKAAFGTDSLEGKTIAVQGVGNVAYNLCRHLHEEGAN-LIVTDINKQSVQR-------A---VEDFG-------ARAVDPDDIYSQDCDIYAPCALGATINDDTIKQLKAKVIAGAANNQLKETRHGDQIHEMGIVYAPDYVINAGGVINVADELY-GYNAERALKKVEG-IYGNIERVLEISQRDGIPAYLAADRLAEERIERMRRSRSQFLQNGHSVLSRR 4XGI Chain:A ((73-435)) ----------------------AHFEGYRVQHNVSRGPGKGGVRYHQDVTLS----EVMALSAWMSVKNAAVNVPYGGAKGGIRVDPRKLSRGELERVTRRYTSEIGIIIGPNTDIPAPDVNTNEQIMAWMMDTYSMNQGQTATGVVTGKPISLGGSLGRKEATGRGVFVVGCEAAKKK-G-VEIEGARIAVQGFGNVGGIAAKLFQEAGAKVIAVQDHTGTIHQPAGVDTAKLLDHVGRTGGVAGFEGAEPMPNDEFWTVETEILIPAALENQITEKNASKIRTKIIVEGANGPT-TTAADDILSANGVLVIPDVIANAGGVTVSYFEWVQ-WTEDEINHRLERVMREAFAGVWAVAEEHKVSVRTAAFIVACKRILMAREMRGLY-----------

General information: TITO was launched using: RESULT: Template: 4XGI.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 : 1935 58868 30.42 182.25 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 30.42 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_4XGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGI-query.scw PDB file : Tito_Scwrl_4XGI.pdb: