Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQGLMAAVLFATFALTGCGTDSAGKSADQQLQVTATTSQIADAAENIGGKHVKVTSLMGPGVDPHLYKASQGDTKKLMSADVVLYSGLHLEGKMEDVLQKIGEQKQSAAVAEAIPKNKLIPAGEGKTF-DPHVWFSIPLWIYAVDEIEAQFSKAMPQHADAFRKNAKEYKEDLQYLDKWSRKEIAHIPEKSRVLVTAHDAFAYFGNEYGFKVKGLQGLSTDSDYGLRDVQELVDLLTEKQIKAVFVESSVSEKSINAVVEGAKEKGHTVTIGGQLYSDAMGEKGTKEGTYEGMFRHNINTITKALK 4XRV Chain:A ((26-298)) ------------------------------PLDVVATFSIIGDFAAKVGGDRIRLNVLVGPDSDTHVYEPRPADAIALAGADVVLTNGLEFEGFLTRLIAASGTDAAVATLTDGVETMEE---------HDPHAWQAVPNAKVYVQNIAAAFCAADAEGCAAYQANAARYIGELDALDTEIRAAIAALPQDRRTVVVAHNAFRYFEAAYGVHFLSPQGVST--------VAGLIREIRARNASAIFAENISDTRLLEQI---AREAG--LPLAGTLYSDALSGPDGPASNYIAMMRHN---------

General information: TITO was launched using: RESULT: Template: 4XRV.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 : 1309 -47717 -36.45 -194.76 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -36.45 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_4XRV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XRV-query.scw PDB file : Tito_Scwrl_4XRV.pdb: