Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRNNSQNLIMLKHDFASHIEDLKCATKPRSEALGRHLWTCTI--DADFYWLKFHLPNVHAQSEQDFLHELQFYEDITYKKANWLLPFKIIEGRTISQQTQFQGKVLVLPDTECWFDDLDQ---KQNLKNINEKIYLALVKLAELHELGWIHGDIKKEHFRKFK-QELYLIDFEKTRLISSP-----DPITDATPRYMAPELFHGANKTVQSDLYALGIVLYEWLT-QTRLQANSYHEWAVLHC-QKLNVELPSS-FQIFLPLLSGLLQKQQQNRFSNVHEAINCLKALST 3BKB Chain:A ((106-372)) -------------KDKWVLNHEDLVLGEQIGRGNFGE-VFSGRLRADNTLVAVKSCRETLPPDLKAKFLQEARILKQYSH--PNIVRLIGVCTQ------KQPIYIVMELVQGGDFLTFLRTEGARLRVKTLLQMVGDAAAGMEYLESKCCIHRDLAARNCLVTEKNVLKISDFGMSREEADGVYAASGGLRQVPVKWTAPEALNYGRYSSESDVWSFGILLWETFSLGASPYPNLSNQQTREFVEKGGRLPCPELCPDAVFRLMEQCWAYEPGQRPS-FSTIYQELQSI--

General information: TITO was launched using: RESULT: Template: 3BKB.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 : 1258 -6141 -4.88 -24.27 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -4.88 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3BKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BKB-query.scw PDB file : Tito_Scwrl_3BKB.pdb: