Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRNKQKSKDYQSFLKNRHDKLNTSDDVLEKIVKNAVGYGIKDKQKIVEGEINEVYDITPTKGDNLIVRVSREEHNRFEAEKWALDNCRNAGVSVPQIILLDEVETDKEKLHICVENKIEGVSLQELIKQKVLSQSEIKDLTISAGEILSKIHSI---KAKNFGEINSLGVGKFETWPEYMLEQNKNSDIVLEKAKNISIDPKLIQQAIEILEKTQDMYMNVDSRLAHSDYGIKHMLIHEGKINGIIDFENCKSSDIAYDFS---YWNYFGKNRPSVEWLMEGYKSNGNFGENFEARMHLVKIKIALSLLIYYSDAGHGFAKEITTNNLIEDITFFNYVK 3W0N Chain:A ((22-236)) ----------------------------------------VSDLMQLSEGEESRAFSFD-VGGRGYVLRVN-SCADGFYKDRYVYRHFASAALPIPEVLDIGEF---SESLTYCISRRAQGVTLQDL------PETELPAVLQPVAEVMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDC--PEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDPLYEVANIFFWR------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W0N.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 : 877 -41525 -47.35 -198.68 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -47.35 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.286

(partial model without unconserved sides chains): PDB file : Tito_3W0N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0n-query.scw PDB file : Tito_Scwrl_3W0N.pdb: