Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGQLFIGALTCLVASMSWGAMFPVADHALEFVDPFYFSFIRYGVVTIMLVILLLVREGKKSFHLEGKAKWIILFGVMAFTIYNVLIFLGQRLMGKSGIMTASIAEALMPMLSIVILWGYKHVKPKKYTMISILIAFLGASMVITKGNISFFFSLGDHLFSILFIFIGVLGWVVYTMGGQIFREWSTLRYSTLTCLFGTAITGIMTAILTAQGYVSVPSIKVIAAIKYDFLFMITLPGIIALLSWNYGIKILSSINGILFINFVPITTLLIMVIKGYNITAFDIVGTLFVIIGLILNNIYQRKEDYKQVLQKEKTNLTIT 3JBR Chain:E ((185-206)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ACAAFVLLFLGGISLLLFSLPR----------------

General information: TITO was launched using: RESULT: Template: 3JBR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2 -384 -192.00 -17.45 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain E : 0.35 3D Compatibility (PKB) : -192.00 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.35 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3JBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JBR-query.scw PDB file : Tito_Scwrl_3JBR.pdb: