Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYQINALNPKDEGHKARKRFGQNFLHDQRVIAKIVRSVNPRTGDNIVEIGPGLAALTSPLIGECDALTVVELDRDLAAGLPERVPHPERLTIVEADALKYDFSQLVKDGRPLRVVGNLPYNISTPLLFHLLEFGSQVKDMHFMLQKEVVERITAEPNTKEYGRLSVMIQYYCQPTFLFEVPAGAFNPPPKVTSAVFRLVPYEQKPITAKDEKALARLVAHVFTQRRKTLRNSLKG------MLA---EDGFEKA-------GVDPMARPETLTLAEFVALADQMVA 3GRU Chain:A ((30-286)) ---------------------QCFLIDKNFVNKAVESANLTKDDVVLEIGLGKGILTEELAKNAKKVYVIEIDKSLEPYANKLKELYNNIEIIWGDALKVDLN----KLDFNKVVANLPYQISSPITFKLIK--RGFDLAVLMYQYEFAKRMVAAAGTKDYGRLSVAVQSRADVEIVAKVPPSAFYPKPKVYSAIVKIKPNKGKY-HIENENFFDDFLRAIFQHRNKSVRKALIDSSKELNYNKDEMKKILEDFLNTNSEIKNLINEKVFKLSVKDIVNLSNEFY-

General information: TITO was launched using: RESULT: Template: 3GRU.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 : 1151 -136148 -118.29 -564.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -118.29 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3GRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRU-query.scw PDB file : Tito_Scwrl_3GRU.pdb: