Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMSNSSVIDAMCYNNSVKSKMKWRKDMDGLLPLWKERGMTSHDCVFKLRKILHTKKIGHGGTLDPDVDGVLPICIGKATKVIEYLTDSGKIYVGEITLGFSTTTEDRSGERVETKPVDMSLSEKKIDEVMASFIGEITQIPPMYSAVKVNGKRLYEYARNNETVERPVRKAQIYRFIRTSELTRDEVTGTISWRFEVECGKGTYVRTLAVDTGKKLGYPAHMSDLTRTASAGMSQKDAL-TLEEVAQAV---KNGTIDD----CLLPIEKGVERFKRVDITDEVWQKVKNGMRLDYTVFALPEMPSEEIALFYKGKVVSIYQPNPKEKNKLKPSKVLRNEE 2HVY Chain:A ((47-269)) ----------------------------GVINLDKPPGPTSHEVVAWIKKILNLEKAGHGGTLDPKVSGVLPVALEKATRVVQALLPAGKEYVALMHL-------------------HGDVPEDKIIQVMKEFEGEIIQRPPL------------------------LRTRKVY-YIEVLEIEGRDVL------FRVGVEAGTYIRSLIHHIGLALGVGAHMSELRRTRSGPFKEDETLITLHDLVDYYYFWKEDGIEEYFRKAIQPMEKAVEHLPKVWIKDSAVAAVTHGADL-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HVY.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 : 990 -90272 -91.18 -434.00 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -91.18 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_2HVY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HVY-query.scw PDB file : Tito_Scwrl_2HVY.pdb: