Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKEFKAESKRLLDMMINSIYTQKEIFLRELISNSSDAIDKIYYKALTDDALTFDKDSYYIKVAADKDARTLTISDTGIGMTKDELEQHLGTIAKSGSLAFKKENELKDGHDIIGQFGVGFYAAFMVADVVTVISKALGSEEAYKWESAGADGYTIEPCEKDSV--GTDIILKIKENTEDDSYDEFLEEYRLKAIIKKYSDFIRYPIKMDTTINKPKEGSENEFEEVQEEQTVNSMVPIWRKNKSELTDEDYEKFYAEKHYGFDKPLTHVHISVDGAVRYNAILFVPENMPFDYYSKEYEKGLELYSNGVLIMNKCADLLPDHFSFVKGMVDSEDLSLNISREMLQHDRQLKLIAKNISKKIKSELQSLLKKDREKYETFYKSFGRQLKFGVYNDFGANKDQLKDLLLFYSSK-EKKLVSLDEYVSRMPEEQKFIYYATGDSYDRIEKLPQTEMVADKGYEILYFTEDIDEFAIKMLASYQEKEFKSVSSGDLGIDTDEDQKQSEEEESK-YKDLFEEMKN-ILSDKVKNVRISKRLKSHPVCLAADGE-VTIEMEKILNAMPDSQN--------VKAEKVLEINPNHEVFQTLQDAFEQDK--EKLSLYTNLLYNQALLIEGLPIQDPVEFTNNICKVMV----- 2O1U Chain:A ((34-661)) ------------MMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGT--------------------------VGFYSAFLVADKVIVTSKHNNDT-QHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEA-----SDYLELDTIKNLVKKYSQFINFPIYVWS-------------SKVWDWELMNDIKPIWQRPSKEVEDDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPR---------YIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKI--ADEKYNDTFWKEFGTNIKLGVIED-HSNRTRLAKLLRFQSSHHPSDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAIEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIKDMLRRVKEDEDDKTVSDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNI

General information: TITO was launched using: RESULT: Template: 2O1U.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 : 2727 65500 24.02 117.59 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 24.02 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2O1U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1U-query.scw PDB file : Tito_Scwrl_2O1U.pdb: