Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEAYRQHVAERAALGVPPKPLDDAQTAQLVELLKNPPAGEEAFLVDLLENRVPAGVDQAAYVKAAFLAAIAKGEATSPLVSKERAVYLLGTMLGGYNVAPLVELLDDAELGSLAAEALKKTLLVFDAFHDVADKAKAGNANAKAVLQSWADAEWFTSRKDVPEEIKITVFKVTGETNTDDLSPAQDAWSRPDIPLHANAMLKNERDGINPEKPGEVGPLSQIKELIAKGNQVAYVGDVVGTGSSRKSATNSVLWFFGDEIAHIPNKKDGGVCLGGKIAPIFFNTMEDAGALPVEIDVSNMNMGDEVTLKIDHAAAKVTAFKNGEQIAESELKTPVLLDEVHAGGRINLIIGRGLTAKAREVLGLAPSTLFRTPVQPADTGKGFTLAQKMVGRACGLPEGQGIRPGTYCEPKMTTVGSQDTTGPMTRDELKDLACLG-FSADLVMQSFCHTAAYPKPVDVQMQHTLPDFIMNRGGVS----LRPGDGIIHSWL--NRMLLPDTVGTGGDSHT-------RFPIGISFPAGSGLVAFAAATGVMPLDMPESVLVKFKGKMQPGITLRDLVHAIPYYAIKEGDLTVEKKGKKNI-FSGRILEIDLTEMETDLTVEQAFELSDASAERSAAGCAITLSEEKVAEYLRSNITMLKWMISQGYGDARTMARRVENMEKWLANPSLLKADADAEYTKVYEIDLSEIKEPILCCPNDPDDAKLLSDVQGDKIDEVFIGSCMT-NIGHFRAAGQLLEKVPSGSLTTRLWLAPPTRMDEHQLMEEGFYNTYGRAGARTEMPGCSLCMGNQARV-APNTTVVSTSTRNFPNRLGQ-GSNVYLASAELASVAAVLGKLPTPEEYQQYAAQIDSMSADIYKYLNFDQMGEYTNAADKVDTKKIAAAQLT 4NQY Chain:A ((22-442)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTIVEKILAKASGKKE---VSPGDIVMANIDVAMVHDITGPLTVNTLKEYGIEKVWNPEKIVILFD-------------NHILMRKFVKEQGIKYFYDIR--EGVCHQVLPEKGHVAPGEVVVGADSHTCTHGAFGAFATGI----GSTDMAHVFATGKLWFKVPETIYFNITGDLQPYVTSKDVILSII------GEVGVDGATYKACQFGGETVK--------KMSIASRMTMTNMAIEMGGK-TGIIEPDEKTIQYVKEAM--------KKHGTERPF--------------EVIKGDEDAEFAEVYEIEADKI-EPVFACPHNVDNVKQAREVAGKPIDQVFIGSCTNGRLEDLRMAIKIIEKHGGIADDVRVVVTPASREEYLKALKEGIIEKFLKYGCVVTNPSCSACMGSLYGVLGPGEVCVSTSNRNFRGRQGSLEAEIYLASPITAAACAVKGELVDPRD---------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NQY.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 : 2305 9514 4.13 24.33 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 4.13 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_4NQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NQY-query.scw PDB file : Tito_Scwrl_4NQY.pdb: