Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQTEQIHQHSVLRDIIRSRRSIRKFKQ-EPVPSAVILDMLETAKYAPNHRVTEPWRFIYVSSETGKANLINTFAAFSKKSKPDMTEEKLQNFKNTLGRVPGFLLVVFQEDENE-------------------------------------RARDDDFAATSSLIQNLQLLAWEKGIGMVWKSGKILYDKEVHQAFGLQD-NERFAAIIQTGYPDEAPEVKKRTPIRDRFTEM 3GBH Chain:A ((6-213)) -------TRINDFNEVLNSRKSVKVFDENYKIPREEMDEIITKATKAPSSVNMQPWRIAVVQSDEMKEKVKESFGFN----------------SRQLTTSSAMLIIFGDLQNYEKAEQIYGDAVEQQLMTEDIKAQLLDWILPYYKNLSREGMKDIVNIDSSLMAMQLMLTAKAHGYDTNPIGG--FDKENIADIIGYDSDRYVPVLAIAIGKKAQDAHDSVRLPIDDVREFL

General information: TITO was launched using: RESULT: Template: 3GBH.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 : 759 -86196 -113.56 -510.03 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -113.56 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3GBH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GBH-query.scw PDB file : Tito_Scwrl_3GBH.pdb: