Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSHWVYKLIVYSKLKNKLMLTYDKNEFSLPSYQPELAHVAIVGHINAFVKEHFQLKTTVLRCCRQLENIRIYEVEILEEESVQFANHVWLTLSQPSDLKKLNSDDQTILKSWIDTQRSVGIPWFHVGWRNQMERWAANVLSNSSLTFAQIRSWERSALFRIISDTQNYYFKAVPDVFNHEPLLSDYLFQHYPLYVPEIV--QVEPNKNWYIMREIQGSLLGQTGKIAYWRQAIEQLAVMQKQSTRHIDELKKRNCPVRPVAKVIKSYVKCSFDDLYESHHISRETYQKLNTSIPTIINICDKIEKSNIPLALEHGDFFGGNIMVQNGQPVI-YDWSDCTLSHPFLSIMVILKEVEQFFSEEVAQSL--------LNDYLEKWSGFDSKPHLIEEYNWLKVIAPVYYLTIYQTFIFPAF---NDNWDKQQIIEGYITEWLTMPML--- 3ATS Chain:A ((1-357)) --------------------------------TLPAVISRWLSSVLPGGAAPEVTVESGVDS---TGMSSETIILTARWQQDGRSIQQKLVARVAPA-----------------------------------------------AEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIET---TGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRS-PLLERTFEWLQSHWP--------DDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVE--LGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1632 -54029 -33.11 -161.28 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -33.11 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.164

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: