Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEAYRQHVAERAALGVPPKPLDDAQTAQLVELLKNPPAGEEAFLVDLLENRVPAGVDQAAYVKAAFLAAIAKGEATSPLVSKERAVYLLGTMLGGYNVAPLVELLDDAELGSLAAEALKKTLLVFDAFHDVADKAKAGNANAKAVLQSWADAEWFTSRKDVPEEIKITVFKVTGETNTDDLSPAQDAWSRPDIPLHANAMLKNERDGINPEKPGEVGPLSQIKELIAKGNQVAYVGDVVGTGSSRKSATNSVLWFFGDEIAHIPNKKDGGVCLGGKIAPIFFNTMEDAGALPVEIDVSNMNMGDEVTLKIDHAAAKVTAFKNGEQIAESELKTPVLLDEVHAGGRINLIIGRGLTAKAREVLGLAPSTLFRTPVQPADTGKGFTLAQKMVGRACGLPEGQGIRPGTYCEPKMTTVGSQDTTGPMTRDELKDLAC-LGFSADLVMQSFCHTAAYPKPVDVQMQHTLPDFIMNRGGVSL-RPGDGIIHSWLNRM--LLPDTVGTGGDSHTRFPIG---ISFPAGSGLVAFAAATGVMPLDMPESVLVKFKGKMQPGITLRDLVHAIPYYAIKEGDLTVEKKGKKNIFSGRILEIDLTEMETDLTVEQAFELSDASAERSAAGCAITLSEEKVAEYLRSNITMLKWMISQGYGDARTMARRVENMEKWLANPSLLKADADAEYTKVYEIDLSEIKEPILCCPNDPDDAKLLSDVQGDKIDEVFIGSCMT-NIGHFRAAGQLLEKVPSGSLTTRLWLAPPTRMDEHQLMEEGFYNTYGRAGARTEMPGCSLCMGN-QARVAPNTTVVSTSTRNFPNRLG-QGSNVYLASAELASVAAVLGKLPTPEEYQQYAAQIDSMSADIYKYLNFDQMGEYTNAADKVDTKKIAAAQLT 4KP1 Chain:A ((23-445)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMTIVEKILAKASGKK---EVSPGDIVMANIDVAMVHDITGPLTVNTLKEYGIEKVWNPEKIVILFDHQVPADSIKAAENHILMRKFVKEQGIKYFYDIREGVCHQVLPEKGHVAPGEVVVGADSHTCTHGAFGAFATGIGSTDMAHVFATGKLWFKVPETIYFNITGDLQPYVTSKDVILSII----G--EV------GVDGATYKACQFGGETV-KKMSIASRMTMTNMAIEMGGKTGIIEPDEKTI-QYVKEAM----------KKH-----GT---ERPF----EVIKGDEDAEFAEVYEIEADKI-EPVFACPHNVDNVKQAREVAGKPIDQVFIGSCTNGRLEDLRMAIKIIEKHGGIADDVRVVVTPASREEYLKALKEGIIEKFLKYGCVVTNPSCSACMGSLYGVLGPGEVCVSTSNRNFRGRQGSLEAEIYLASPITAAACAVKGELVDPRDL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KP1.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 : 2625 58929 22.45 142.69 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 22.45 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_4KP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KP1-query.scw PDB file : Tito_Scwrl_4KP1.pdb: