Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYPGINETQLELIFSRYGKDCKIEPLQEEASTRRY--FRITSVNGKEEVVCADETVNEDFIVISEFLNANGIRVPRIHDTN------QNLGLTFMSFEGLKDFSTYNLNDYKNKFPILIDLILKLQSLDP-PSLVKTRKFDTEKLSFETNLTLDKFEAFRKQFQIKTDITNEAKAFIEETVGYLNKYPINVFTHRDFH-CRNILIAPNTDYALIDFQDARMGVPQYDLASILYDAYYPLPRDFRSLMLKSFRERNVDQTKKFNDTFYLQALQRSFKALGTYFRMVTDHKKDKFKTSIISCLNQLEEIIQLGMFADSLYIFVRSLREELSRHKEFKNL 5HEA Chain:A ((4-295)) ------GELISIIVPVYNVEKYLKRCLDSLLRQTYKNFEIILIN--------DGSTDNSSIICEEYAKIDN-RIQILHQTNAGPSAARNAGITYAS---GKYITFVDSDDFVEEF-YLEHLYRALVDNGSDISVCNFNSFNEDRQSFLFSITKEKY--FCKNYTIAEWMDLNLFLTFTFS-------PTKLFKAELFEGIRFPLGRLREDDATI----YRLYLKASQITFINEGSYYYSQRDDISSMISNAEERIALLASMGYDL---------------------TEQIKSYKGRLKKCCEDALR--------NGQIELYQQCCNKLDLIENYPKE

General information: TITO was launched using: RESULT: Template: 5HEA.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 : 1368 10802 7.90 40.61 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 7.90 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_5HEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5hea-query.scw PDB file : Tito_Scwrl_5HEA.pdb: