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-FDVKISVDTFRSEVAEACLKLGVDMINDQWAGLYDHRMFQIVAKYDAEIILMHNGNGNRDE--------------------------PVV-EEMLTSLLAQAHQAKIAGIPSNKIWLDPGIGFAKTRNEEAEVMARLDELVATEYPVLLATSRKRFTKEMMGYD------T---TPVERDEVTAATTAYGIMKGVRAVRVHNVELNAKLAKGIDFLKENEN----------

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 -141026 -104.46 -564.10 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -104.46 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.564

(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: