Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELNLKEDWSKKMKTALNRTPASFPVRRMDYNFEDTPRYWCNHEPSLTHYFTGLSTLFPEGESYFVRSVRALR-AKAKE-NEILDREIGAFIGQEAMHSKEHHAFHVSAQQYGLNPESLEKATG-----IVL----KAIEKVF----SKKW--N-LLVTVGLEHYTAVLVVSMMQSVN--ELMTENTIRNLWLWHSVEETEHKAVAYDLYQHLYGNGLDAYIPRVGIFTFSLVLITAFSTIYHIVLMKRDKQLTNFKTWRNFFKFASKQYKVLIPKFLEYYRFDFHPNQTDEKALVAATKVKLGINDRSLLLS 4XB9 Chain:A ((73-231)) ---------------------------------------------------LPLVAGFSAGEEAVTLDILPMAHALARQGRLEDVLFLTTFMHDEAKHVEMFSRWQQAV---GIGQMDLSVFHNDHYKRIFYEALPEAMNRLYADDSPEAVIRAATVYNMIVEGTLAESGYYTFRQIYKKA-GLFPGLLQGIDYLNMDEGRHIQFGIYTIQRIV---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XB9.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 : 432 -19181 -44.40 -137.99 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -44.40 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.176

(partial model without unconserved sides chains): PDB file : Tito_4XB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB9-query.scw PDB file : Tito_Scwrl_4XB9.pdb: