Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQPISVTRSNFNDWMVPVFAPANFIPVRGEGSRIWDQENKEYIDFAGGIAVNALGHAHPVAVNALTEQAKKLWHVGNGYTNEPVLRLAKQLTENTFADKVFFCNSGAEANEAALKLARKVGLDSGVAGKSGIVAFNNAFHGRTLFTVSAGGQPKYSQDFAPLPNGISHVAYNDLEAAKAVINEQTCAVIVEPVQGEGGVIPADIEFLKGLRELCDQFGALLIFDEVQTGVGRTGALYAYMNYGVVPDVLTTAKALGGGFPVGAMLTTDKFAPHFSVGTHGTTYGGNPLASAVAGAVFEFINTPEVLEGVKHRHQYFLDALNALNAEYQVFDEIRGQGLLIGCVLKAEYAGKAKDITTWAGEEGLLALIAGPNVVRFTPSLIIPEQDIDEGIARLKRALAKLAK 4JF1 Chain:A ((27-418)) ----------TFDEVILPVYAPADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGQSLFTVSVGGQPKYSDGFGPKPADIIHVPFNDLHAVKAVMDDHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAF------STYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAGADVMRFAPSLVVEEADIHEGMQRFAQAVGKV--

General information: TITO was launched using: RESULT: Template: 4JF1.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 : 2331 -252074 -108.14 -653.04 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -108.14 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_4JF1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JF1-query.scw PDB file : Tito_Scwrl_4JF1.pdb: