Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKEKAIVVFSGGQDSTTCLLWALKEFEEVETVTFHYNQRHSQEVEVAKSIAEKLGV-KNHLLDMSLLNQLAPNALTRN---DIEIEVKDGELPSTFVPGRNLVFLSFASILAYQIGARHIITGVCETDFSGYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMKGERA 2PG3 Chain:A ((2-221)) --MKRAVVVFSGGQDSTTCLIQALQDYDDVHCITFDYGQRHRAEIEVAQELSQKLGAAAHKVLDVGLLNELATSSLTRDSIPVPD---------NTFVPGRNILFLTLASIYAYQVGAEAVITGVCETDFSGYPDCRDEFVKALNQAIVLGIARDIRFETPLMWLNKAETWALADYYQQLDTVRYHTLTCYNGIKGDGCGQCAACHLRANGLAQYQKDAATV-

General information: TITO was launched using: RESULT: Template: 2PG3.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 : 1006 -109159 -108.51 -527.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -108.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2PG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PG3-query.scw PDB file : Tito_Scwrl_2PG3.pdb: