Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRNKQKSKDYQSFLKNRHDKLNTSDDVLEKIVKNAVGYGIKDKQKIVEGEINEVYDITPTKGDNLIVRVSREEHNRFEAEKWALDNCRNAGVSVPQIILLDEVETDKEKLHICVENKIEGVSLQELIKQKVLSQSEIKDLTISAGEILSKIHSIKAKNFGEI---NSLGVGKFETWPEYMLEQNKNSD-IVLEKAKNISIDPKLIQQ-AIEILEKTQDMYMNVDSRLAHSDYGIKHMLIHEGKINGIIDFENCKSSDIAYDFSYWNYFGK----NRPSVEWLMEGYKSNGNFGENFEARMHLVKIKIALSLLIYYSDAGHGFAKEITTNNLIEDITFFNYVK 3W0S Chain:A ((6-282)) -----------------------LTATSVEKFLIEKFD-SVSDLMQLSEGEESRAFSFDVGG-RGYVLRVNSCA-DGFYKDRYVYRHFASAALPIPEVLDIGEF---SESLTYCISRRAQGVTLQDL------PETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDD--TVSASVAQALDELM--LWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPEL-----AGSPRLRAYMLRIGLDQLYQSLVDGN----------------------

General information: TITO was launched using: RESULT: Template: 3W0S.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 : 1258 -61786 -49.11 -230.54 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -49.11 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_3W0S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0s-query.scw PDB file : Tito_Scwrl_3W0S.pdb: