Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLKSAVHHAVMLGGKRVRPALCYATA-SLQDNPNFAAAR--RAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQ--IQILATAS--SKMVCGQVLDLQAEAKQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGENAKELVEISQFLLARTN 3PDE Chain:D ((36-258)) -----------------------------------LAAAMTYSVLAGGKRLRPLLTVATMQSL--GVTFVPERHWRPVMALELLHTYSLIHDDLPAMDNDALRRGEPTNHVKFGAGMATLAGDGLLTLAFQWLTA---------TDLPATMQAALVQALATAAGPSGMVAGQAKDIQSEHVNLPLSQLRVLHKEKTGALLHYAVQAGLI-LGQAPEAQWPAYLQFADAFGLAFQIYDDILDVVSSPA---------ADEAKNTYPGKLGL----------------------------------------

General information: TITO was launched using: RESULT: Template: 3PDE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 869 -31738 -36.52 -153.32 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -36.52 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3PDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDE-query.scw PDB file : Tito_Scwrl_3PDE.pdb: