Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFN--EAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPE-S--TDGSWLVTAFAQKIRGIRASKLIPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDS-QQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI 5IQI Chain:C ((81-257)) -------------------------------------------------------VKIPNIEYSYISDELSILGYKEIKGTFLTPEIYST------------MSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYI-LL--RETIYNDLTD-IEKDYIESFMERLNAT------TVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLED---SEEEI------GTNFGEDILRMYGN-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 574 26279 45.78 153.68 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : 45.78 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: