Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRNNSQNLIMLKHDFASHIEDLKCATKPRSEALGRHLWTCTI--DADFYWLKFHLPNVHAQSEQDFLHELQFYEDITYKKANWLLPFKIIEGRTISQQTQFQGKVLVLPDTECWFDDLDQ---KQNLKNINEKIYLALVKLAELHELGWIHGDIKKEHFRKFK-QELYLIDFEKTRLISSP-----DPITDATPRYMAPELFHGANKTVQSDLYALGIVLYEWLT-QTRLQANSYHEW-AVLHCQKLNVELPSS-FQIFLPLLSGLLQKQQQNRFSNVHEAINCLKALST 3CBL Chain:A ((107-372)) --------------DKWVLNHEDLVLGEQIGRGNFGE-VFSGRLRADNTLVAVKSCRETLPPDLKAKFLQEARILKQYSH--PNIVRLIGVCTQ------KQPIYIVMELVQGGDFLTFLRTEGARLRVKTLLQMVGDAAAGMEYLESKCCIHRDLAARNCLVTEKNVLKISDFGMSREEADGVYAASGGLRQVPVKWTAPEALNYGRYSSESDVWSFGILLWETFSLGASPYPNLSNQQTREFVEKGGRLPCPELCPDAVFRLMEQCWAYEPGQRPS-FSTIYQELQSI--

General information: TITO was launched using: RESULT: Template: 3CBL.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 : 1242 -7108 -5.72 -28.21 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -5.72 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_3CBL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CBL-query.scw PDB file : Tito_Scwrl_3CBL.pdb: