Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYRLSMSLIANTTVVRGRFLDIQQTVSEPTDIPNQVRYLEDGVLIS-EHGKIKWFGAWEDAQQHL----PAGVEVQHYP-EQLIVPGFIDTHIHFPQTEMVGAY-GEQLLSWLNTYTFPTEIQFQDKTYASEIAQFFVQELLKHGTTTALVFCTVHPESVDALFEAAERVQMRLIAGKVLMDRNAP-EALCDTPETAYSNTKALIEKWHGKGR--ALYAITPRFAPTSTPEQLERAGQLKQEFPDVYVHTHLSENKDEIAWVKSLFPEQAGYLDVYQHYGLTGKRSVFAHCVHLEDEEWQCMHDTQSAIAFCPTSNLFLGSGLFPLKKTWEKQVKVGLGTDIGAGTSFSLLQTVNEAYKVQQL------QGDKLSAYEALYHATLGGAKALDLQDQLGNFNIGKEADFVVLNLKPTALQ------ELRQTKSKSVEDSLFALFTLGDDRNIEATYIYGNRAYQKETAK 4AQL Chain:A ((35-472)) -----------------------FRGTFVHSTW-TCPMEVLRDHLLGVSDSGKIVFLEEASQQEKLAKEWCFKPCEIRELSHHEFFMPGLVDTHIHASQYSFAGSSIDLPLLEWLTKYTFPAEHRFQNIDFAEEVYTRVVRRTLKNGTTTACYFATIHTDSSLLLADITDKFGQRAFVGKVCMDLNDTFPEYKETTEESIKETERFVSEMLQKNYSRVKPIVTPRFSLSCSETLMGELGNIAKTR-DLHIQSHISENRDEVEAVKNLYPSYKNYTSVYDKNNLLTNKTVMAHGCYLSAEELNVFHERGASIAHCPNSNLSLSSGFLNVLEVLKHEVKIGLGTDVAGGYSYSMLDAIRRAVMVSNILLINKVNEKSLTLKEVFRLATLGGSQALGLDGEIGNFEVGKEFDAILINPKASDSPIDLFYGDFFG---DISEAVIQKFLYLGDDRNIEEVYVGGKQVVPF----

General information: TITO was launched using: RESULT: Template: 4AQL.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 : 2474 23742 9.60 57.07 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 9.60 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_4AQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AQL-query.scw PDB file : Tito_Scwrl_4AQL.pdb: