Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRAISHIDTFQGLILALQNYWAEQGCVVLQPYDMEM---------GAGTFHTA-TFLRALGPETWNAAYVQPSRRP----KDG-RYGENPNRLQHYYQFQVVLK----------------------P--NPDNIQQLYLD----------SLK-AIGIDTLTHDI--------RFVEDN-WESPTLGAWGLGWEVWLN-------------------GMEVTQFTYFQQV----GG-VECYPVTGEITYGLERLAMYLQGVDSVYDLVWTKGQFGTVTYGDVFHQNEVEQSTYNFEYAPVDKLFELFDFYESEANRLMEAKLPLPAYEQVVKASHTFNLLDARGAISVTERQRYILRVRTLARAIAQSYVQARAELGFPMAEPHLRDEVLAQLKAQAESEAAKAEKN 3HXZ Chain:B ((2-257)) --------KSTAEIRQAFLDFFHSKGHQVVASSSLVPHNDPTLLFTNAGMNQFKDVFLGLDKRNYSRATTSQRCVRAGGKHNDLENVGYT----ARHHTFFEMLGNFSFGDYFKLDAILFAWLLLTSEKWFALPKERLWVTVYESDDEAYEIWEKEVGIPR-ERIIRIGDNKGAPYASDNFWQMGDTGPCGPCTEIFYDHGDHIWGGPPGSPEEDGDRYIEIWNIVFMQFNRQADGTMEPLPKPSVDTAMGLERIAAVLQHVNSNYDID-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HXZ.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 : 648 2851 4.40 16.48 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : 4.40 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_3HXZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HXZ-query.scw PDB file : Tito_Scwrl_3HXZ.pdb: