Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDDMTKDNINQQTLQRGLKNRHIQLIAIGGAIGTGLFLGSGKSIHFAGPSILFAYMITGIICFLIMRSLGELLLSNLNYHSFVDFVQDYLGDMAAFITGWTYWF-CWI-SIAMADLTAVGLYTQYWLPGVPQWVPGLIALI------ILLIMNLATVKLFGELEFWFALIKVIAILALIVIGLVMIFKGFSTSSGVSSFTNLWSHGGLFPNGMHGFILSFQMVVFAFVGIELVGLTAGETENPEKVIPKAINNIPVRVLLFYIGALLVIMSIYPWDIINPSESPFVQVF-VAVGIVGAASIINFVVLTSAASACNSAVFSTSRMVYSLAKDHNAPESMAKLTQRKVPRNALFFSAIVILIGVTLNYIMPEGV--FTLITSIST----VCFIYIW-GITVICHMKYRKTRPELAKTNKFKLPLYPFTNYLILAFLAFVLVVLALAQDTRVSLFVTPVWFILLIVIYKVRKAKHQ 3NCY Chain:A ((76-402)) -------------------------------------------------------------------------------------YARRCFGPFLGYQTNVLYWLACWIGNIAMV-VIGVG-YLSYFFPILKD--PLVLTLTCVAVLWIFVLLNIVGPKMITRVQAVATVLALVPIVGIAVFGWFW-FKG-------E-----WNVSGM--NTFGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPNAALRVSASPFGDAARMALGDT-AGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFAR-----TPVAGLLIVGVLMTI-FQFSSMSPNAAKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFGKARPL----------------YLLITFVAFVYCIWAV------------------------------

General information: TITO was launched using: RESULT: Template: 3NCY.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 : 1098 -202482 -184.41 -672.70 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -184.41 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_3NCY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NCY-query.scw PDB file : Tito_Scwrl_3NCY.pdb: