Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVRTRIAPSPTGFPHVGTAYIALFNMCFAKQHGGEFILRIEDTDQLRSTPESEKMILDSLRWLGLNWSEGPDVGGPHAPYRQSERMGIYKQYALELVEKGHAFYCFATAEELDQMRAEQQARGETPKYDGRGLKLSQEEVARRLEAGEPHVIRMKVPEEGVCKFNDLLRGEVEIPWAQ-VDMQVLLKTDGLPTYHLANVVDDHLMEITHVLRGEEWLPSAPKHQLLYQYFGWEMPTLCHMPLLRNPDKSKLSKRKNPTSINYYRDIGVLPEALLNYLGRMGWSMPDEREVFTLQDMMDNFDIQRVSLGGPIFDVEKLNWLNGQWIKGLTPGQLLDRLLTWKS------------DRSTLEDIAAAIQPRINLLSEAVNWAGFYFNHMPQITAEMFESKKLTQEQVRQSLQFAIWRLESQFTWNNDTVGQTLMDLANQMGIKLRDFMPTFFIAIAGSTSSTPVMQSMVTLGPDLTFARLRHALEIVGAPSKKEVKNWEKLNESLKLPKNEATSEA 4GRI Chain:A ((24-510)) -STRVRYAPSPTGLQHIGGIRTALFNYFFAKSCGGKFLLRIEDTDQSRYSPEAENDLYSSLKWLGISFDEGPVVGGDYAPYVQSQRSAIYKQYAKYLIESGHAYYCYCSPERLERIKKIQNINKMPPGYDRHCRNLSNEEVENALIKKIKPVVRFKIPLEGDTSFDDILLGRITWANKDISPDPVILKSDGLPTYHLANVVDDYLMKITHVLRAQEWVSSGPLHVLLYKAFKWKPPIYCHLPMVMGNDGQKLSKRHGSTALRQFIEDGYLPEAIINYVTLLGWSYDDKREFFSKNDLEQFFSIEKINKSPAIFDYHKLDFFNSYYIREKKDEDLFNLLLPFFQKKGYVSKPSTLEENQKLKLLIPLIKSRIKKLSDALNMTKFFYEDIKSWNLDEF------K-EVCSILELIKPILEGFEKRSSEENDKIFYDFAESN---LGEILLPIRIAALGSKVSPPLFDSLKLIGKSKVFERIKLAQEFLRI---------------------------

General information: TITO was launched using: RESULT: Template: 4GRI.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 : 2080 -56692 -27.26 -122.18 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -27.26 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_4GRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GRI-query.scw PDB file : Tito_Scwrl_4GRI.pdb: