Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHYTKEDLLELGAEITTREIYQQPDVWREAFEFYQAKREEI---AAFLQEIADKHDYIKVILTGAGTSAYVGDTLLPYFKEVYDERKWNFNAIATTDIVANPATYLKKDVATVLVSFARSGNSPESVATVDLAKSLVDELYQVTITCATDGKLALQAHGDDRNLLLLQPAVSNDAGFAMTSSFTSMMLTALLVFDPTEF-----AVKSERFEVVSSLARKVLDKAEDVKELVD---LDFNRVIYLGAGPFFGLAHEAQLKILELTAGQVATMYESPVGFRHGPKSLINDNTVVLVFGTTTDYTRKYDLDLVREVAGDQIARRVVLLSDQAFGLENVKEVALGCGGVLNDIYRVFPYIVYAQLFALLTSLKVENKPDTPSPTGTVNRVVQGVIIHEYQK 4S1W Chain:B ((3-347)) ---------KGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIIND-VK--EADRIYVIAAGTSYHAGLVGKEFLEKWAG---VPTEVHVASEFVYNM-PLL--SEKPLFVYISQSGETADSRAVLVETNKL--GHKSLTITNVAGSTLSREAD-----HTLLLHAG-PEIAVASTKAYTAQIAVLSILSQIVAKEHEADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISY--IQAEGFAGGELKHGTIALIEDGTPVVALATQEN-VNLSIRGNVKEVVARG--AHPCIISMEGLEK---EGDTYVIP-HVHELLTPLVSVVALQLISYYAALHRDLDVDK---------------------

General information: TITO was launched using: RESULT: Template: 4S1W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1976 -46067 -23.31 -138.76 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -23.31 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4S1W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S1W-query.scw PDB file : Tito_Scwrl_4S1W.pdb: