Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGAMQGSYATALLKQQQLPESFQFYFKQKQHLSNTQELHQLHELVRPRLKIAIVTETWPPEINGVALSLLQLCQGLQKQGHKILLVRPEQKAKCHDFLPE-QECLVMSQAIPKYPTLQFGWPQYLKVSKAFEKFVPDVVHIVTEGPLGLTAMQAAK--AKDIPVSSGFHSPFQDFSRFFDLAFLVKPIQKYLCWFHNNTQVTCVPSKDTEEALRGFGITC-PLVVVGRGVDTTRFSPKHRSENLRQQWGVDSDTRVMLYVGRLSPEKEVQLIVESYAAMQNIQQQKTKLVVVGDGPDLARLKALPEA----KNVIFTGSLCGHDLAVAYASADVFVFASQVETFGNVVLEAMASGLPVIAYDYACAHQYLIHGVNGWLSPLGHKNHFIQQIYQLPS-IQQLREMGIQACHKV-QQSGWQLPVQQLEQAFYQVVKELSADFT 2JJM Chain:I ((9-373)) ----------------------------------------------------------CYP--GGSGVVGTELGKQLAERGHEIHFITSGLP----KVYPNIYFHEVTVN----FQYPPYDLALASKMAEVAQRENLDILHVHYAIPHAICAYLAKQMIGERIKIVTTLHGTDITVLGS------DPSLNNLIRFGIEQSDVVTAVSHSLINETHELVKPNKDIQTVYNFIDERVYFKRDM-TQLKKEYGIS---KILIHISNFRKVKRVQDVVQAFAKIVTE--VDAKLLLVGDGPEFCTILQLVKNLHIEDRVLFLGKQ--DNVAELLAMSDLMLLLSEKESFGLVLLEAMACGVPCIGTRVGGIPEVIQHGDTGYLCEVGDTTGVADQAIQLLKDEELHRNMGERARESVYEQFRSEKIVSQYETIYYDVL--------

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 I - contact count / total energy / energy per contact / energy per residue : 1847 -26350 -14.27 -77.05 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain I : 0.70 3D Compatibility (PKB) : -14.27 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.500

(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: