Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIYDGQVADNYMYQDSNQAAIVVSHSTPSLPYPFTMKPNNHSTETNTPPAIDVEKFVAKL-ESITSRRSKARCARSIRIALESAGADVENHPIAASDWGDTLKKIGYKEINPAFDEPQEGDIYIIHRTRNHIYGHIAGYTGSEWVSDFKQSSYDVYKDDNVTYTYYRLG 1QYS Chain:A ((3-94)) ----------------DIQVQVNIDDNGKNFDYTYTVTTES-----------ELQKVLNELMDYIKKQG-----AKRVRISITAR--TKKEAEKFAAILIKVFAELGYNDINVTFD----GDTVTVEGQL----------------------------------------

General information: TITO was launched using: RESULT: Template: 1QYS.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 : 368 -5436 -14.77 -59.73 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -14.77 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_1QYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QYS-query.scw PDB file : Tito_Scwrl_1QYS.pdb: