Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLGGIEAGGTKFVCAVGREDGTIIDRIEFPTK---MPDETIEKVIQYFSQ--FSLQAIGIGSFGPVDNDKTSQTYGTITATP-KAGWRHYPFLQTVKNEMKIPVGFSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGLSH--PEMGHIYIRRHPDDVYQGKCPYHG-DCFEGLASGPAIEARWGKKA-----ADL--------SDIAQVWELEGYYIAQALAQYILILAPKKIILGGGVMQQKQVFSYIYQYVPKIMNSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAASGEVRS 2AA4 Chain:A ((2-288)) TTLAIDIGGTKLAAALIGADGQIRDRRELPTPASQTPEALRDALSALVSPLQAHAQRVAIASTGIIRDGS-----LLALNPHNLGGLLHFPLVKTLEQLTNLPTIAINDAQAAAWAEFQALD-GDITDMVFITVSTGVGGGVVSGCKLLTGPGGLAGHIGHTLADPH-----GPVCGCGRTGCVEAIASGRGIAAAAQGELAGADAKTIFTRAGQGDEQAQQLIHRSARTLARLIADIKATTDCQCVVVGGSVGLAEGYLALVETYLAQEPA--AF--------HVDLLAAHYRHDAGLLGAALLAQG-------------

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 : 1523 -204531 -134.29 -771.82 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -134.29 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.488

(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: