Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAISLEKGQRIDLTKGKAGLSKLMVGLGWDPVSSGGGFFSKLLGGGGPNIDCDASVLMLENGKFTDKKNLIYFGNLKSRCGGVQHTGDNLTGDGAGDDEQIMIDLDKVPGNIDKLVFVVNIYDCVRRKQDFGMIQNAFIRVVDQSNHEEMLKYNLRDNYAGRTSLITAEIYRSGSEWKFAAVGEGTNDTRLEDIISRYV 1AEP Chain:A ((6-158)) ------------------NIAEAVQQLNHT-IVNAAHELHETLGLPTPD---EALNLLTEQANAFKTKIAEVTTSLKQEA-------EKHQGSVAEQLNAFARNLNN------------SIHDAATSLNLQDQLNSLQSALTNVGHQWQDIATKTQASAQEAWAPVQSALQEAAEKTKEAA---ANLQNSIQSAVQK--

General information: TITO was launched using: RESULT: Template: 1AEP.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 : 593 -31175 -52.57 -203.75 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -52.57 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_1AEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AEP-query.scw PDB file : Tito_Scwrl_1AEP.pdb: