Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTITLPALPYGYDDLAPHISKETLEYHHDKHHNTYVVNLNNLIKGTDLEGKTLEEIIKATAGDASKAGIFNNAAQVWNHTFYWNSMKPNGGGKPTGAIAAKIDEAFGSYEKFAEEFTAAATTQFGSGWAWLVADEVNGKLSITKTSNADTPLA-HGQIAVLTIDVWEHAYYIDFRNLRPKYIATFLENLVNWDYANAKLAGQPAGVEK 3LIO Chain:A ((4-192)) -----LPSLPYAIDALEPHISKETLEFHHGKHHNTYVVKLNGLIPGTKFENKSLEEIVCSSDG-----GVFNNAAQIWNHTFYWNSLSPNGGGAPTGAVADAINAKWGSFDAFKEALNDKAVNNFGSSWTWLVK-LADGSLDIVNTSNAATPLTDDGVTPILTVDLWEHAYYIDYRNVRPDYLKGFW-SLVNWEFANANFA--------

General information: TITO was launched using: RESULT: Template: 3LIO.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 : 901 -79192 -87.89 -421.23 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -87.89 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_3LIO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LIO-query.scw PDB file : Tito_Scwrl_3LIO.pdb: