Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLKSAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQILATASSKMVCGQVLDLQAEAKQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGENAKELVEISQFLLARTN 4LFE Chain:A ((22-261)) -------------------------------ISEKLNEAVLYSINAGGKRIRPILFLEVIEALQIPLTESHFKAAAALEMIHTGSLIHDDLPAMDNDDYRRGQLTNHKKFDEATAILAGDSLFLDAFGMLAETDF-----PTDVTVDLVRSLSSASGTFGMVGGQMLDMAAEGKKLNLKNLQLIHRHKTGQLL-AYPFWAAARVAQLDENLLATFLEIGMIIGLAFQVRDDILDITA----------------KMTYPHLLGLNESYQILDESLDQA--------------------------

General information: TITO was launched using: RESULT: Template: 4LFE.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 : 957 -102842 -107.46 -459.12 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -107.46 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_4LFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LFE-query.scw PDB file : Tito_Scwrl_4LFE.pdb: