Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRPTVLCFSGLDPSGGAGLQADIEAIGQSGAHAAIACTALTIQNSQQVFG--SEATSKELLLAQANAVV-G--DLPIKCVKSGMLGTTDNIAALAEFLRA---HPDYQYVLDPVLVANSGGSLGDQATLVKAFVELIL-LATLITPNTVELRALTGVT-----DLDQATQKLFEMGAKAVLVKGGHEDTPDFIKNSLYIDG----ELAASSTCPRLEGEYHGSGCSLASFIAGRLALGDSLKIAVQHAETWLFGVLKNAETPVPNGQKIPKRF 4S1H Chain:A ((1-254)) MTNKVLTISSYVCSGFVGNRCGMIILDSFQIQSIFVLTTHLANHT-GYPVVGGSGVLLNDFISIMDSLEVNHLDKDIEFLVTGYFPSSDLVYETINRVKRIKDNKKVYFLCDPILGD-NGKMYTK-SEVQDSMKE-LIKYADIITPNATELSFLTGLEVNSVSEAIKACHILHEQGIPVILVTSIKEGND---IILLCSFKDTLNNKNFTIKIPRIEGDFTGVGDTLTYILLSWIIKGIPLEHAVNRAISTLQTILRNTVG------------

General information: TITO was launched using: RESULT: Template: 4S1H.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 : 1214 -21811 -17.97 -92.42 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -17.97 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_4S1H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S1H-query.scw PDB file : Tito_Scwrl_4S1H.pdb: