Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAIVELKNATKIVKNGFDEEKIILNDVSLEIFEQDFITILGGNGAGKSTLFNTIAGTISLTSGTIRILGEDVTKFSPEKRAKYLSRVFQDPKMGTAPRMTVAENLLIA-KFRGEKRGLFPRRLASYKDKFQATIEKVGNGLEKHLNTPIEFLSGGQRQALSLLMATLKRPELLLLDEHTAALDPKTSVALMELTDEFVKKDQLTALMITHHMEDALKYGNRLIVMKEGRVIQDLKQEEKAKMKISDYYQLFE 3PUY Chain:A ((2-214)) --ASVQLQNVTKAWG-----EVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERG--VGMVFQ--SYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQ---------LAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ--------------------

General information: TITO was launched using: RESULT: Template: 3PUY.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 : 1052 -66749 -63.45 -314.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -63.45 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_3PUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUY-query.scw PDB file : Tito_Scwrl_3PUY.pdb: