Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WYCRNMNRSKAEQLLRSEDKEGGFMVRDS-SQPGLYTVSLYTKFGGEGSSGFRHYHIKETTTSPKKYYLAEKHAFGSIPEIIEYH 3MXY Chain:A ((9-84)) WFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSV--KFGNDVQ------HFKVLRDGAGKYFLWVV-KFNSLNELVDYH

General information: TITO was launched using: RESULT: Template: 3MXY.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 : 261 -12006 -46.00 -160.08 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -46.00 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_3MXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MXY-query.scw PDB file : Tito_Scwrl_3MXY.pdb: