Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKIDDLQLIGSGATANVYLYD-----------KNKIIKLFNNDY-----DINAVNYEAKIAQEIND-SCITAPKFYQTIII---NGQNGIVYEYVEGELLFSLLVK---------SSLPQGIKLIKKLAQTQISINQKRNNNI------T-SQIDR----FSYLINKST---GIESYKDVLIEGLKS----I--KQDNCICHGDLHAGNIIVNS-SGYVAIDWMNCYAGNKEGDLIRSYLMLVSPYIPFPAGRIIRILFRIYK-NILGHVYMNEYLKLTKLKKKELRKWYSIIAASRLADNIPNEEKWLIKIIRKNINYLKKLQPRV 3ATS Chain:A ((27-317)) -------GVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLT-DTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLAT-----LPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWA-----------------------------

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 : 940 2121 2.26 9.03 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 2.26 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.380

(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: