Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKLKIGITCYPSVGGSGIIATELGKQLAEKGHEIHFITSSIPFRLNTYHPNIHFHEVEVNQYAVFKYPPYDLTLASKIAEVAERENLDIIHAHYALPHAVCAYLAKQMLKRNIGIVTTLHGTDITVLGYDPSLKDLIRFAIESSDRVTAVSSALAAETYDLIKPEKKIETIYNFIDERVYLKKNTAAIKEKHGILPDEKVVIHVSNFRKVKRVQDVIRVFRNIAGKTKAKLLLVGDGPEKSTACELIRKYGLEDQVLMLGNQDRVEDLYSISDLKLLLSEKESFGLVLLEAMACGVPCIGTNIGGIPEVIKNNVSGFLVDVGDVTAATARAMSILEDEQLSNRFTKAAIEMLENEFSSKKIVSQYEQIYADLAEPE 2JJM Chain:A ((2-372)) --KLKIGITCYP--GGSGVVGTELGKQLAERGHEIHFITSGLP----KVYPNIYFHEVTVN----FQYPPYDLALASKMAEVAQRENLDILHVHYAIPHAICAYLAKQMIGERIKIVTTLHGTDITVLGSDPSLNNLIRFGIEQSDVVTAVSHSLINETHELVKPNKDIQTVYNFIDERVYFKRDMTQLKKEYGIS---KILIHISNFRKVKRVQDVVQAFAKIVTEVDAKLLLVGDGPEFCTILQLVKNLHIEDRVLFLGKQDNVAELLAMSDLMLLLSEKESFGLVLLEAMACGVPCIGTRVGGIPEVIQHGDTGYLCEVGDTTGVADQAIQLLKDEELHRNMGERARESVYEQFRSEKIVSQYETIYYDV----

General information: TITO was launched using: RESULT: Template: 2JJM.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 : 2027 -270893 -133.64 -756.68 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -133.64 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2JJM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JJM-query.scw PDB file : Tito_Scwrl_2JJM.pdb: