Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEKMELGEFYKELRLARKLKQTDVACEGLTASQLSKFELGQSMLSADKLILAIQGINVTFDEFGHKLNNYQESPHMRIGRKVVNRFAHQDIAALEQLLEEVDQEQMAQTYRRLNAIVIKDAIHSLNKSYPLAEEDSEFLTTYLYAIESWTWFELYLFCNTMPFLSNQDLIFLSTSLLEKSKEFKELVHNRLYMKQGLLNILSELMERKLFSYIPIFEAELERMLRPYDVFEKVSWQFLKKMSVFLQTKGSNQKEIERFIQSLQVLENPQLTSLFELRFQQYKELID 1WCY Chain:A ((60-77)) ---------------------------------------------------------NSTFDEFGHSINDYSISP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1WCY.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 : 5 -1966 -393.20 -109.22 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -393.20 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.768

(partial model without unconserved sides chains): PDB file : Tito_1WCY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WCY-query.scw PDB file : Tito_Scwrl_1WCY.pdb: