Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLRIEKNNGIATVYLNRPDKRNAMSFALLKELVTTAKAIQKDRDIRCVILTGEAQVFSAGIDLSDLNNPKNSAFAIWELVKPGQSLFQKAFLIWQNLPVPVIAALEGYCFGAGMQLALAADIRIAHPDTKMSIMESRWGLVPDMGLTRSLKGLIGVDLAKELTLTARVLDGNYAKDIGLVTHLSE--NPLEKANAIASEMLQRSPDALTAAKRVLDAMEHQPE-KSLRLEKIWQLKLLLGKNSKLARKKDK--HPEVKFLPRQYR 3HIN Chain:B ((17-261)) --TLVVDTVGPVLTIGLNRPKKRNALNDGLMAALKDCLTDIP--DQIRAVVIHGIGDHFSAGLDLSELRERDATEGLVH-----SQTWHRV-FDKIQYCRVPVIAALKGAVIGGGLELACAAHIRVAEASAYYALPEGSRGIFVGGGGSVRLPRLIGVARMADMMLTGRVYSAAEGVVHGFSQYLIENGSAYDKALELGNRVAQNAPLTNFAVLQALPMIAEANPQTGLLMESLMATVAQSDQEAKTRIRAFLDH------------

General information: TITO was launched using: RESULT: Template: 3HIN.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 : 1231 -121845 -98.98 -507.69 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -98.98 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_3HIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HIN-query.scw PDB file : Tito_Scwrl_3HIN.pdb: