Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQQNAQSTSEPTISENDLIAQRHAKLKQIQDVAKETGKSPWPNTFKREHYAADLQEQFKDQSKEQIESAEH---VYVKVAGRVMLNR--GSFMVIQDMTG---RIQLYVDRKGLPKDT--LETIKGLDLGDIIAAEGYIGRSGKGDLYVHLEGFELLTKSLRPLPDKFHGLNDTEVKYRKRYLDLIVNEETRKTFEIRAKVVAGIRAFLTNERFMEVETPMMHVIPGGASARPFETHHNALDMPLFLRIAPELYLKRLVVGGFERVFEINRNFRNEGVSTRHNPEFTMIEFYQAYADYKDLMALTENMLEKLALDILGTTDVPY-----QGEVF--SFKGPFKKISMFDAILENNPQFTPE-NVGDREFLAKFVREELKE---EVKPGFGLGKLQTIVFEETVETKLRQPTFITEYPAETSPLARRNDDNPHITDRFEFFIGGRELANGFSELNDPIDQAERFQAQVAEKDAGDDEAMHYDAEFVEALEYGLPPTAGEGIGIDRLVMLFADAPSIRDVILFPHMRRKEG 4YCU Chain:A ((20-506)) ----------------------------------KVNGEDPYPHKFHVDISLTDFIQKYS-----HLQPGDHLTDITLKVAGRIHAKRASGGKLIFYDLRGEGVKLQVMANSRNYKSEEEFIHINNKLRRGDIIGVQGNPGKTKKGELSIIPYEITLLSPCLHMLPHLHFGLKDKETRYRQRYLDLILNDFVRQKFIIRSKIITYIRSFLDELGFLEIETPMMNIIPGGAVAKPFITYHNELDMNLYMRIAPELYHKMLVVGGIDRVYEIGRQFRNEGIDLTHNPEFTTCEFYMAYADYHDLMEITEKMVSGMVKHITGSYKVTYHPDGPEGQAYDVDFTPPFRRINMVEELEKALGMKLPETNLFETEETRKILDDICVAKAVECPPPRTTARLLDKLVGEFLEVTCINPTFICDHPQIMSPLAKWHRSKEGLTERFELFVMKKEICNAYTELNDPMRQRQLFEEQAKAKAAGDDEAMFIDENFCTALEYGLPPTAGWGMGIDRVAMFLTDSNNIKEVLLFPAMK----

General information: TITO was launched using: RESULT: Template: 4YCU.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 : 2228 84986 38.14 182.37 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 38.14 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4YCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCU-query.scw PDB file : Tito_Scwrl_4YCU.pdb: