Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MIIWINGAFGSGKTQTAFELHRRLNPSYVYDPEKMGFALRSMVPQEIAKDDFQSYPLWRAFNYSLLASLTDTYRGILIVPMTIVHPEYFNEIIGRLRQEGRIVHHFTLMASKETLLKRLRTRAEGKNSWAAKQIDRCVE------GLSSPIFEDHIQTDNLSIQDVAENIAARAELPLDPDTRGSLRRFADRLMVKLNHIRIK-------------------------------------- 3A4M Chain:A ((3-252)) DIMLIILTGLPGVGKSTFSKNLAKILSKN----NIDVIVLGSDLIRESFPVWKEKYEEFIKKSTYRLIDSALKN--YWVIVDDTNYYNSMRRDLINIAKKYNKNYAIIYLKASLDVLIRRNIERGEKIPNEVIKKMYEKFDEPGKKYKWDEPFLIIDTT-KDIDFNEIAKKLIEKSKEIPKFNISDKIDKETRKIVSEYIKSKKLDKDKIKEVVELRKEFLKKIKKVDADRVLKEFKDLLNSY

General information: TITO was launched using: RESULT: Template: 3A4M.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 : 809 -105082 -129.89 -553.06 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -129.89 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3A4M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4M-query.scw PDB file : Tito_Scwrl_3A4M.pdb: