Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEAYRQHVAERAALGVPPKPLDDAQTAQLVELLKNPPAGEEAFLVDLLENRVPAGVDQAAYVKAAFLAAIAKGEATSPLVSKERAVYLLGTMLGGYNVAPLVELLDDAELGSLAAEALKKTLLVFDAFHDVADKAKAGNANAKAVLQSWADAEWFTSRKDVPEEIKITVFKVTGETNTDDLSPAQDAWSRPDIPLHANAMLKNERDGINPEKPGEVGPLSQIKELIAKGNQVAYVGDVVGTGSSRKSATNSVLWFFGDEIAHIPNKKDGGVCLGGKIAPIFFNTMEDAGALPVEIDVSNMNMGDEVTLKIDHAAAKVTAFKNGEQIAESELKTPVLLDEVHAGGRINLIIGRGLTAKAREVLGLAPSTLFRTPVQPADTGKGFTLAQKMVGRACGLPEGQGIRPG-TYCEPKMTTVGSQDTTGPMTRDELKDLACLGFSADLVMQSFC---------HTAAYPKPVDVQMQHTLPDFIMNRGGVSLRPGDGIIHSW-LNRMLLPDTVGTGGDSHTRFPIG---ISFPAGSGLVAFAAATGVMPLDMPESVLVKFKGKMQPGITLRDLVHAIPYYAIKEGDLTVEKKGKKNIFSGRILEIDLTEMETDLTVEQAFELSDASAERSAAGCAITLSEEKVAEYLRSNITMLKWMISQGYGDARTMARRVENMEKWLANPSLLKADADAEYTKVYEIDLSEIKEPILCCPNDPDDAKLLSDVQGDKIDE--------VFIGSCMTN-IGHFRAAGQLLEKVPSGSL--TTRLWLAPPTRMDEHQLMEEGFYNTYGRAGARTEMPGCSLCMG----NQARVAPNTTVVSTSTRNFPNRLGQG--SNVYLASAELASVAAVLGKL---------PTPEEYQQYAAQIDSMS---------ADIYKYLNFDQMGEYTNAADKVDTKKIAAAQLT 1ACO Chain:? ((2-528)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RAKVAMSHFEPHEYIRYDLLEKNIDIVRKRLNRPLTLSEKIVYGHLDDPANQEIERGKTYLRLRPDRVAMQDATAQMAMLQFISSGLPKVAVPSTIHCDHLIEAQLGGEKDLRRAKDINQEVYNFLATAGAKYGVGFWRPGSGIIHQIILENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWTSPKDVILKVAGILTVKGG------------TGAIVEYHGPGVDS-ISCTGMATICNMGAEIGATTSVFPYN-HRMKKYLSK-------------------TGRADIANLADEFKDHLVPDSGCHYDQLIEINLSEL-KPHINGPFTPDLAHPVAEVGSVAEKEGWPLDIRVGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIERDGYAQVLRDVGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDFLTGKDGKKFKLEAPDADELPRAEFDPGQDTYQHPPKDSSGQR------------------

General information: TITO was launched using: RESULT: Template: 1ACO.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 : 3107 70050 22.55 146.55 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 22.55 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_1ACO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ACO-query.scw PDB file : Tito_Scwrl_1ACO.pdb: