Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSDYVDDESSVRINRKMELIKVPDESAGNAMIGISYLTRE-----DGKIIADRIKELCNESRYNNSFWEEALYIKDKMMVSAKTVSSK-----DVIEINTYEQLREIDENSDQL--DTDAISVIC--EAFKINKNDIYNITVLKKGMTNRSFLFECKGKKYIMRIPGEGTDMLINRREE--AEVYNVVNKEKICDNVIY----INPDN--GYKITEFIEN-SRVCDPFNEDDVKRCMDKLRTFHNLKLKVNHEFNILGQMKFYESLWNEKSVYDDYELTKANVLSLKKYVEDNVSEKVLTHIDAVPDNFLFAGDEIRLIDWEYAGMHDPHVDIAAAAGMQDPHVDIAMFAIYSLYDREQTDRLIDAYFTGNCDKKTRLKIYCYIAMCGLLWSNWCEYKRQLGVEFGEYSLRQYRYAKDFYRIFINESEQIKEELK 4FDT Chain:A ((21-425)) MQTKIQKYAGTA--------MPYPNRTDGMTPFYINHLGRHGARFPTSRKALDKVEKVLVSAQQENGLTSEGMALLSMIRRLSRLFDGQWGKLSKLGETEQEGIAGRMIRNYPQLFSNSAKIEAIATYVPRSINSMDAFLSCMIRHNPALQVQRSEGKQYNHILRFFDLNKSYVNYKEKGDWLPIYKAFVHKKISPVPIMKKFLLNPEQYLDKEAEEFVMALFSVAAILPDTSIPLNLEDLFT--------LDEWHRYWQTQNLRQYMSKSSAPVGKMLPVAIAWPLLSEFIRSAQEVISGKSDY-QANFRFAHAETVIPFVSLMGIEKTDVQVCRPDSVSVYWKDYEISPMAA---------NVQWLFYRDRDQRIWVKILLNEEAAALPISTAC---------FPYYS---WEKTRIFFNQRIEMAKKTLSVFN

General information: TITO was launched using: RESULT: Template: 4FDT.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 : 1961 55431 28.27 147.82 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 28.27 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.225

(partial model without unconserved sides chains): PDB file : Tito_4FDT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4fdt-query.scw PDB file : Tito_Scwrl_4FDT.pdb: