Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKTDTLPKATAKRLPLYLRYLKMLDDSGISRIKSNEFSEITQIPSATIRRDFSQLGELGRSGYGYDVPFLIDVFNNILNTKEEKRIALVGYGNLGKALKHNNFRRNENLNIVCVFDNDPALINRVIDGEMIYPIDRFAEIAKAKNVTVAISTVPSKYSQSAIDEIVKGNVTAILNFAPDRVTVPAYVNVQYIDLTTELQTLIYFDENYSEVFS 2VT3 Chain:A ((11-209)) ----------ATAKRLPLYYRFLKNLHASGKQRVSSAELSDAVKVDSATIRRDFSYFGALG-----YNVDYLLSFFRKTLDQD---DVILIGVGNLGTAFLHY------NTKISMAFDINESKIGTEVGGVPVYNLDDLEQHV--KDESVAILTVPAVAAQSITDRLVALGIKGILNFTPARLNVPEHIRIHHIDLAVELQSLVYFLKHYS----

General information: TITO was launched using: RESULT: Template: 2VT3.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 : 719 -141272 -196.48 -763.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -196.48 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2VT3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VT3-query.scw PDB file : Tito_Scwrl_2VT3.pdb: