Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTLALAATAAVLMLSACSSGFGGEKEEEITQKTAKSSEKAIVPKYNISDSYYKMVLPFKAGKARGLTTEQ-LNTRLDIDEFETGLMRLAQDSFSTDDYLFQEGQYLDEDTVLSWLARKKTGSDLKKAEKEDKNFKNEGLNPALPSSGSTEEKNESSPIYLASMLEHDYLVRKDKNSIQLGGVMIGLALNSVYYYREKTGDPQKEVEIKDSTLRQQGEKIAQEVINRLRKKDNLKNVPITVALYKQASKTSIVPGNFIAKTEVKAGSTDISNWDDINEKYVFYPADTTTAEKYPDDTEV--FKRFKNSIEEYFPNYTGVVGTALYENDEMKKMKIDIPMQFYGKSEVVAFTQFLTGEVMDYYSKSSVDVEVNITSSDGQ-EAVIIRNAGDKEPTVHIYD 3IB5 Chain:A ((28-345)) -----------------------------------------------------------YKTSKSRGVGISQNSDNLLNLKSFEAGLTTISKDHFSTKSYIFQEGQYLNKATIQDWLGRKSSSNP-------------EGLNP---SDNGKKEANKRNPIYVQQIEEQDY-MKQNNGKLELAGMTIGIGMNQKDYYQKEQYGATYSTTISKEKRIEEGKIAAKKVLARVRQKVG-NNVPIVIAMFAQAPNDSLVGGYFYSYTVSKSG-TDIGSWTETNIKSYVLPA--TEDNKLPNDNDSTSFDNFQKEVKNFFPNISNVTGQGQYKDKTLQGLHITITTQFYSETEITSFTQYVA-QAAKSYLPSGIPVDIKINGSDGETQSFVSTTGGNGGYYTHVF-

General information: TITO was launched using: RESULT: Template: 3IB5.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 : 1525 -72741 -47.70 -231.66 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -47.70 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_3IB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IB5-query.scw PDB file : Tito_Scwrl_3IB5.pdb: