Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLLVGLGNPGDKYFETKHNVGFMLIDQLAKKQNVTFTHDKIFQADLASFFLNGEKIYLVKPTTFMNESGKAVHALLTYYGLDIDDLLIIYDDLDMEVGKIRLRAKGSAGGHNGIKSIIQHIGTQVFNRVKIGIGRPKNGMSVVHHVLSKFDRDDYIGILQSIDKVDDSVNYYLQEKKFEKTMQRYNG 4YLY Chain:A ((2-187)) --KCIVGLGNIGKRFELTRHNIGFEVVDYILEKNNFSLDKQK-FKGAYTIERMNGDKVLFIEPMTMMNLSGEAVAPIMDYYNVNPEDLIVLYDDLDLEQGQVRLRQKGSAGGHNGMKSIIKMLGTDQFKRIRIGVGRPTNGMTVPDYVLQRFSNDEMVTMEKVIEHAARAIEKFVETSRFDHVMNEFNG

General information: TITO was launched using: RESULT: Template: 4YLY.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 : 987 -123956 -125.59 -666.43 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -125.59 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_4YLY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YLY-query.scw PDB file : Tito_Scwrl_4YLY.pdb: