Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYLTAGESHGPRLTAIIEGIPAGLPLTAEDINEDLRRRQGGYGRGGRMKIENDQVVFTSGVRHGKTTGAPITMDVINKDHQKWLDIMSAEDIEDRLKSKRKITHPRPGHADLVGGIKYRFDDLRNSLERSSARETTMRVAVGAVAKRLLAE-LDMEIANHVVVFGGKEIDVPENLTVAEIKQRAAQSEVSIVNQEREQEIKDYIDQIKRDGDTIGGVVETVVGGVPVGLGSYVQWDRKLDARLAQAVVSINAFKGVEFGLGFEAGYRKGSQVMDEILWSKEDGYTRRTNNLGGFEGGMTNGQPIVVRGVMKPIPTLYKPLMSVDIETHEPYKATVERSDPTALPAAGMVMEAVVATVLAQEILEKFSSDNLEELKEAVAKHRDYTKNY 5WUY Chain:A ((10-345)) FRVTTCGESHGVGLMAIVDGVPPGLALTEEDLQKDLDRRKP----------EPDQVEIISGVFEGKTTGTPIGLLIRNTDQK-----------------------------------------------RSSARETAMRVAAGAIAKKYLAEKFGVLIRGHVTQIGN---EVAEKLDWNEVP----NNPFFCGDVDAVPRFEALVTSLREQGTSCGAKLEILAEKVPVGWGEPV-FDR-LDADIAHAMMSINAVKGVEIGDGFAVAGQFG-------------GFL--ANHAGGILGGISSGQTIRVAIALKPTA--------------------KGRHDPCVGVRATPIAEAMLAIVLMDHFL-------------------------

General information: TITO was launched using: RESULT: Template: 5WUY.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 : 1407 -63797 -45.34 -243.50 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -45.34 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_5WUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5WUY-query.scw PDB file : Tito_Scwrl_5WUY.pdb: