Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVASHRMAVEIASAIRLADEAENLDLKQYK 1AJ2 Chain:A ((17-277)) -----------VMGILNVTPDSFSDGGTHNSLIDAVKHANLMINAGATIIDVGGESTRPGAAEVSVEEELQRVIPVVEAIAQRFEVWISVDTSKPEVIRESAKVGAHIINDIRSL-SEPGALEAAAETGLPVCLMHMQ------------------GNPKTMQEAPKYDDVFAE--VNRYFIEQIARCEQAGIAKEKLLLDPGFGFGKNLSHNYSLLARLAEFHHFNLPLLVGMSRKSMIGQLL-----------NVGPSERLSGSLACAVIAAMQGAHIIRVHDVKETVEAMRVVEATLSAKE----------

General information: TITO was launched using: RESULT: Template: 1AJ2.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 : 1347 -160767 -119.35 -615.97 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -119.35 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_1AJ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AJ2-query.scw PDB file : Tito_Scwrl_1AJ2.pdb: