Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRILGLDLGTKTLGVALSDEMGWTAQGIETIKINE-AEGDYGLSRLSELIKD--YTIDKIVLGFPKNMNGTVGPR-G-EA-----SQTFAKVLETTYNVPVVLWDERLTTMAAEKMLIAADVSRQKRKKVIDKMAAVMILQGYLDSLN 2AA4 Chain:A ((1-115)) MTTLAIDIGGTKLAAALIGADGQIR-DRRELPTPASQTPEALRDALSALVSPLQAHAQRVAIASTGIIRDGSLLALNPHNLGGLLHFPLVKTLEQLTNLPTIAINDAQAAAWAEFQ--------------------------------

General information: TITO was launched using: RESULT: Template: 2AA4.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 : 485 -18717 -38.59 -178.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -38.59 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_2AA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AA4-query.scw PDB file : Tito_Scwrl_2AA4.pdb: