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:B ((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 B - contact count / total energy / energy per contact / energy per residue : 1095 -71165 -64.99 -323.48 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -64.99 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.388

(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: