Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAIVELKNATKIVKNGFDEEKIILNDVSLEIFEQDFITILGGNGAGKSTLFNTIAGTISLTSGTIRILGEDVTKFSPEKRAKYLSRVFQDPKMGTAPRMTVAENLLIA-KFRGEKRGLFPRRLASYKDKFQATIEKVGNGLEKHLNTPIEFLSGGQRQALSLLMATLKRPELLLLDEHTAALDPKTSVALMELTDEFVKKDQLTALMITHHMEDALKYGNRLIVMKEGRVIQDLKQEEKAKMKISDYYQLFE 3PV0 Chain:A ((2-214)) --ASVQLQNVTKAWG-----EVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERG--VGMVFQ--SYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQ---------LAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ--------------------

General information: TITO was launched using: RESULT: Template: 3PV0.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 : 1045 -70148 -67.13 -330.88 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -67.13 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_3PV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PV0-query.scw PDB file : Tito_Scwrl_3PV0.pdb: