Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMSNSSVIDAMCYNNSVKSKMKWRKDMDGLLPLWKERGMTSHDCVFKLRKILHTKKIGHGGTLDPDVDGVLPICIGKATKVIEYLTDSGKIYVGEITLGFSTTTEDRSGERVETKPVDMSLSEKKIDEVMASFIGEITQIPPMYSAVKVNGKRLYEYARNNETVERPVRKAQIYRFIRTSELTRDEVTGTISWRFEVECGKGTYVRTLAVDTGKKLGYPAHMSDLTRTASAGMSQKDAL-TLEEVAQAV---KNGTIDD----CLLPIEKGVERFKRVDITDEVWQKVKNGMRLDYTVFALPEMPSEEIALFYKGKVVSIYQPNPKEKNKLKPSKVLRNEE 3HJW Chain:A ((40-262)) ----------------------------GVINLDKPPGPTSHEVVAWIKKILNLEKAGHGGTLDPKVSGVLPVALEKATRVVQALLPAGKEYVALMHL-------------------HGDVPEDKIIQVMKEFEGEIIQRPPLRSAVK-----------------RRLRTRKVY-YIEVLEIEGRDVL------FRVGVEAGTYIRSLIHHIGLALGVGAHMSELRRTRSGPFKEDETLITLHDLVDYYYFWKEDGIEEYFRKAIQPMEKAVEHLPKVWIKDSAVAAVTHGADL-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HJW.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 : 1005 -82919 -82.51 -385.67 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -82.51 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3HJW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HJW-query.scw PDB file : Tito_Scwrl_3HJW.pdb: