Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------VRICSLALGKIINGEVTEYLEDTLQQLPGPAGNVVLEYEDFSIQLSLTKNCWPKLKRGSVVPKGYSLHVYSPTIEGHAATSAVLEGDDRLMLPGFDPLKMRVQFYEWLVGLSWKPLKKGP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3JUR Chain:A ((5-448)) ELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPE---GVFLTGPIH------------LKSNIELHVKG-TIKFIPDPERYLPVVLTRF--EGIELYNYSPLVYALDCENVAITGSG-----VLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCIHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK

General information: TITO was launched using: RESULT: Template: 3JUR.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 : 328 2153 6.56 22.20 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 6.56 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.041

(partial model without unconserved sides chains): PDB file : Tito_3JUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JUR-query.scw PDB file : Tito_Scwrl_3JUR.pdb: