Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILVIADHNNQTLNGATLNVVAAAQKIGGDITVLVAGSGAQAVADAAAKVAGVSKVLLADNAAYANQLAENVAGLVADLAKGYKY--VLAASTTTGKNILPRVAALLDVSMITDIISVESANTFKRPIYAGNAIATVQSDEAIIVGTVRGTAFDPVAAEGGSAAVETVGEVKDAGVSKFVSEEIVKLDRPELTAARIVVSGGRGVGSGENYHKVLDPLADKLGAAQGASRAAVDAGFVPNDFQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKVIVAINKDEEAPINSVADYWLVGDLNAVVPELVSKL 2A1U Chain:A ((21-330)) -STLVIAEHANDSLAPITLNTITAATRLGGEVSCLVAGTKCDKVAQDLCKVAGIAKVLVAQHDVYKGLLPEELTPLILATQKQFNYTHICAGASAFGKNLLPRVAAKLEVAPISDIIAIKSPDTFVRTIYAGNALCTVKCDEKVKVFSVRGTSFDAAATSGGSASSEKASSTSPVEISEWLDQKLTKSDRPELTGAKVVVSGGRGLKSGENF-KLLYDLADQLHAAVGASRAAVDAGFVPNDMQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKTIVAINKDPEAPIFQVADYGIVADLFKVVPEMTEIL

General information: TITO was launched using: RESULT: Template: 2A1U.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 : 1839 -57307 -31.16 -186.06 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -31.16 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_2A1U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A1U-query.scw PDB file : Tito_Scwrl_2A1U.pdb: