Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYLTAGESHGPQLTTIIEGVPAGLYITEEDINFELARRQKGHGRGRRMQIEKDQAKIMSGVRHARTLGSPIALVVENNDWKHWTKIMGAAPITEDEEKEMKRQISRPRPGHADLNGAIKYNHRDMRNVLERSSARETTVRVAAGAVAKKILSELGIKVAGHVLQIGA-VKAEKTEYTSIEDLQRVTEESPVRCYDEEAGKKMMAAIDEAKANGDSIGGIVEVIVEGMPVGVGSYVHYDRKLDSKLAAAVLSINAFKGVEFGIGFEAAGRNGSEVHDEIIWDEEKGYTRATNRLGGLEGGMTTGMPIVVRGVMKPIPTLYKPLKSVDIETKEPFSASIE-RSDSCAVPAASVVAEAAVAWEIANAVVEQFGLDQIDRIRENVENMRKLSREF 1SQ1 Chain:A ((8-345)) LKFTSFGESHGVAVGCIIDGMPAGVKFDEEFLQNELDKR-KG-----------DKAQVLSGVFEGYTTGHPIAIVVF--------------------------------------------------------SARESVARVAGGAVAAMLLREFDICVQSGVFGVGTFVSNLKEEEFDFE----FAKKSEIFCLDPKLESDFKNEILNARNSKDSVGAAVFTKVSGMLIGLGE-VLYD-KLDSKLAHALMGINAVKAVEIGEGINASKMRGSCNNDAL-----KDGKFLSNHSGGILGGISNGENLILKTYFKPTP----------------------GRHDPCVGVRGSVVASAMVRLVLADCLL-------------------------

General information: TITO was launched using: RESULT: Template: 1SQ1.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 : 1474 -84499 -57.33 -320.07 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -57.33 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_1SQ1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQ1-query.scw PDB file : Tito_Scwrl_1SQ1.pdb: