Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNGIYTKSFLERIQEELPEWQRIAFELLAETLGDDADTFPCIPGRQAFLTDQLRIAFAGDPRENRTAEELAPLLAEYGKISRDTGKYASLVVLFDTPEDLAEHYSIEAYEELFWRFLNRLSHQDEKEWPEDIPADPEHYKWEFCFDGEPYFILCATPGHEARRSRSFPFF----MVTFQPRWVFDDLNGST-AFGRNMSRLIRSRLEAYDQAPIHPQLGWYGGKDNREWKQYFLRDDEKQVSKCPFSYLKNMFNKMK 1P8A Chain:A ((79-139)) ----------------------------------------------------------------------------------------------------------------------------------------------------KFDVIAALDQSILSDINSMKPSNCRAKVVLFNPPNGVDDPYYSSDGF-PTMFASISKEMKPF------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1P8A.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 : 131 -15213 -116.13 -271.65 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -116.13 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_1P8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1P8A-query.scw PDB file : Tito_Scwrl_1P8A.pdb: