Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLGFIGTGVMGSAVARHLLEAGHEVAVYNRTKAKADPLVTEGAIWADTPKAVAEQSNILFTMVGYPKDVEEIYYGQSGIFSADISGHILVDLTTSTPSLAEKIAKTAKEKGADALDAPVSGGDLGAKNGTLTIMVGGEEAVYDQVLPLFKEFGTTFTLHGSAGKGQHTKMANQIMIAGTMTGMTEMLVYAQKNGLDLKKVIETLSGGSAANWSLSNYSPRILKEDYTPGFFVKHFIKDLKIALEEAEKMDLVLPATTQALKLYEELADKGFENDGTQALIKLWWPEGKIPEKKS 4DLL Chain:B ((32-318)) RKITFLGT--MGLPMARRLCEAGYALQVWNRTPARAASLAALGATIHEQARAAARDADIVVSMLENGAVVQDVLFA-QGVAAAMKPGSLFLDMASITPREARDHAARLGALGIAHLDTPVSGGTVGAEQGTLVIMAGGKPADFERSLPLLKVFGR-ATHVGPHGSGQLTKLANQMIVGITIGAVAEALLFATKGGADMAKVKEAITGGFADSRVLQLHGQRMVERDFAPRARLSIQLKDMRNALATAQEIGFDAPITGLFEQLYAEGVEHGLTDLDQSGLFVELASRNG------

General information: TITO was launched using: RESULT: Template: 4DLL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1525 -158278 -103.79 -555.36 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -103.79 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4DLL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DLL-query.scw PDB file : Tito_Scwrl_4DLL.pdb: