Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQPISVTRSNFNDWMVPVFAPANFIPVRGEGSRIWDQENKEYIDFAGGIAVNALGHAHPVAVNALTEQAKKLWHVGNGYTNEPVLRLAKQLTENTFADKVFFCNSGAEANEAALKLARKVGLDSGVAGKSGIVAFNNAFHGRTLFTVSAGGQPKYSQDFAPLPNGISHVAYNDLEAAKAVINEQTCAVIVEPVQGEGGVIPADIEFLKGLRELCDQFGALLIFDEVQTGVGRTGALYAYMNYGVVPDVLTTAKALGGGFPVGAMLTTDKFAPHFSVGTHGTTYGGNPLASAVAGAVFEFINTPEVLEGVKHRHQYFLDALNALNAEYQVFDEIRGQGLLIGCVLKAEYAGKAKDITTWAGEEGLLALIAGPNVVRFTPSLIIPEQDIDEGIARLKRALAKLAK 4JEW Chain:A ((22-418)) -----AITRATFDEVILPVYAPADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPKPADIIHVPFNDLHAVKAVMDDHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAF-----GSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAGADVMRFAPSLVVEEADIHEGMQRFAQAVGKV--

General information: TITO was launched using: RESULT: Template: 4JEW.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 : 2357 -256048 -108.63 -653.18 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -108.63 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.586

(partial model without unconserved sides chains): PDB file : Tito_4JEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JEW-query.scw PDB file : Tito_Scwrl_4JEW.pdb: