Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHSILISGAAQGIGAEIARVFYQRGYKVGIYDINESLAQNLAQEL---GPNACAGYLDVSDYSQWQHILKEFTDWAGELNILVNNAGILYSGAFENID----IKSHQR-----TININVNGVINGCHAALPYLKQASFARVINLSSASAIYRQADLISYSASKFAVRGITEGLDVEWKKYGIRVLDVMPLFVQTAMVNNMDAGSIQNM------GVDLTPNDIAQQVLSLV---EGFVAQTF 4NBW Chain:A ((5-245)) -KRVAIITGAANGIGRATALEFAQAGYHVVAWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGILHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKYGRILNASSVVGLYGNFGQTNYVAAKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQMPERVLEAMVARTPVGRIGDPVDIARAYLFLASEESGFISGT-

General information: TITO was launched using: RESULT: Template: 4NBW.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 : 1092 -73232 -67.06 -332.87 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -67.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4NBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NBW-query.scw PDB file : Tito_Scwrl_4NBW.pdb: