Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVASHRMAVEIASAIRLADEAENLDLKQYK 4HB7 Chain:B ((5-264)) -------TKTKIMGILNVT----------NNVETAINRVKAMIDEGADIIDVGGVSTRPGHEMVTLEEELNRVLPVVEAIVG-FDVKISVDTFRSEVAEACLKLGVDMINDQWAGLYDHRMFQIVAKYDAEIILMHN-------------------GNGNRDEPV-------VEEMLTSLLAQA-HQAKIAGIPSNKIWLDPGIGFAKTRNEEAEVMARLDELVATEYPVLLATSRKRFTKEMM---GYDTTP------VERDEVTAATTAYGIMKGVRAVRVHNV---ELNAKLAKGIDFLKENEN-------

General information: TITO was launched using: RESULT: Template: 4HB7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1350 -140358 -103.97 -561.43 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -103.97 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_4HB7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HB7-query.scw PDB file : Tito_Scwrl_4HB7.pdb: