Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNFKNKVAAITGAGSGIGQQLAILLAKQGCHLSLSDINEKGLEKTVELLKPYSN-ITVTTKKLDVSDREAVKQWAQETVQDHGCVNLIFNNAGVALGSTVEGATYEDLEWIVGINFWGVVYGTKEFLPFIK-QTQDGHIINVSSLFGLTAQPT-QSGYNATKFAVRGFTESLRQELDIEKCGVSSLCVHPGGIRTNIAKAAKMSDSLSSLGMDPTKSIQNFDKLLRT----PPEEAARQILDAVLKNKRRLLIGSDAKILDAFQRLFPTGYQRASTIVTKWMK 4YAI Chain:B ((8-246)) --------AFITGGASGIGFGIAQRLLANGARLVLADIRQDHLDEARQFFEERQQGRNVHTIRLDVSDRAQMAEAARECEAVMGGPDILINNAGIDPSGPFKDATYQDWDYGLAINLMGPINGIMAFTPGMRARGRGGHIVNTASLAGLTPMPSFMAIYATAKAAVITLTETIRDSMAEDNIGVTVLM--PGPIKSRIHESGQNRPERFRAGSGLAETEQQLAKRVVADNWMEPTEVGDMIVDAIVHNK-----------------------------------

General information: TITO was launched using: RESULT: Template: 4YAI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1279 -51978 -40.64 -224.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -40.64 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4YAI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YAI-query.scw PDB file : Tito_Scwrl_4YAI.pdb: