Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTLALAATAAVLMLSACSSGFGGEKEEEITQKTAKSSEKAIVPKYNISDSYYKMVLPFKAGKARGLTTEQLNTRLDIDEFETGLMRLAQDSFSTDDYLFQEGQYLDEDTVLSWLARKKTGSDLKKAEKEDKNFKNEGLNPALPSSGSTEEKNESSPIYLASMLEHDYLVRKDKNSIQLGGVMIGLALNSV-YYYREKTGDPQKEVEIKDSTLRQQGEKIAQEVINRLRKKDNLKNVPITVALYKQASKTSIVPGNFIAKTEVKAGSTDISNWDDINEKYVFYPADTTTAEKYPDDTEVFKRFKNSIEEYFPNYTGVVGTALYENDEMKKMKIDIPMQFYGKSEVVAFTQFLTGEVMDYYSKSSVDVEVNITSSDGQEAVIIRNAGDKEPTVHIYD 4HN3 Chain:A ((19-350)) ------------------------------------------IMTKNQISSNYYKTVLPYKASKSRGLVVSNIYSRYDINELESGLMRVSQNKYSPDNYLFQEGQYLDKETLEKWLDRK-----------SDKN--PNGLNPA--SNGNGENR---KPIYLAHILEQDYLKQTDKDTVALGGISIALAMNSVDYYQKEKYGDTY-EQPISDSELLAQGKEMSATVLNRIRQTKGLENVPVTIAIYKQGARDAVAPGNYIAYATANGDS--LSNWKDIDEKNYVLPS-TESAKDHKTDNDNFLNFKKAIEDYYPNFTGVVGRGRYEDGQLAELNIDIPLQFYGEAEIIGFTQYVTDLVGQHIPKTA-DLQVNISTSDGPAALITRKANEDAATAHIYD

General information: TITO was launched using: RESULT: Template: 4HN3.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 : 1602 -108083 -67.47 -326.53 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -67.47 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4HN3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HN3-query.scw PDB file : Tito_Scwrl_4HN3.pdb: