Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHPIVIIGSGMAGYTLAREFRKLNPEQELVMICADDAVNYAKPTLSNAFAGKKAPEQIPLGDAAKMSAQLNMRIEPFTWVKEILAERHELVLEKDGIISQQPYSKLILAVGANPIRLAIAGDGSDDIHVVNSLIDYRSFRENLAQRKDKRVVILGAGLIGCEFANDLLHSEYDVTVIDLAPQPLGRLLPSHIASAFQQNLEEAGVKFTLGTTVEKVSKINNGEDYAVTLANGQTLVADIVLSAIGLQPNISLAQSANIQTSRGVITNSLLETNQADIYAIGDCAEVNGTLLPYVMPIMQQARALAKTLSGQQTNVHYPAMPVAVKTPAAPLTVLPAPVDVDVNWET-EEFDDGMLAKAIDNEGTLRGFVLLGATAGKQRLTLTKLVPDLIPAQA 3KLJ Chain:A ((9-356)) STKILILGAGPAGFSAAKAALGKC--DDITMINSEKYLPYYRPRLNEIIAKNKSIDDIL-IKKNDWYEKNNIKVITSEFATSIDPNNKLVTLKSG---EKIKYEKLIIASGSIANKIKVPHA--DEIFSLYSYDDALKIKDECKN--KGKAFIIGGGILGIELAQAIIDSGTPASIGIILEYPLERQLDRDGGLFLKDKLDRLGIKIYTNSNFEEM---------------GDLIRSSCVITAVGVKPNLDFIKDTEIASKRGILVNDHMETSIKDIYACGDVAEFYGKNPGLINIANKQGEVAGLNACGEDASYSEIIPSPILKVSGISIISCGDIENNKPSKVFRSTQEDKYIVCMLK-ENKIDAAAVIGDV--------------------

General information: TITO was launched using: RESULT: Template: 3KLJ.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 : 2036 -254743 -125.12 -734.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -125.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3KLJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KLJ-query.scw PDB file : Tito_Scwrl_3KLJ.pdb: