Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSITAIFFDLDGTLVDSSIGIHNAFTYTFKELGVPSPDAKTIRGFMGPPLESSFATCLSKDQISEAVQIYRSYYKAKGIYEAQLFPQIIDLLEELSSSYPLYITTTKNTSTAQDMAKNLEIHHFFDGIYGSSPEAPHKADVIH--QALQTHQLVPQQAIIIGDTKFDMLGARETGIQKLAVTWGFGEQADLLNYQPDYIAH---KPLEVLAYFQ 2HDO Chain:A ((6-208)) -----ALMFDIDGTLTNSQPAYTTVMREVLATYGKPFSPAQAQKTFPMAAEQAMTELGIAASEFDHFQAQYEDV-MASHYDQIELYPGITSLFEQLPSELRLGIVTSQRRNELESGMRSYPFMMRMAVTISADDTPKRKPDPLPLLTALEKVNVAPQNALFIGDSVSDEQTAQAANVDFGLAVWGMDPNADHQK-----VAHRFQKPLDILELF-

General information: TITO was launched using: RESULT: Template: 2HDO.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 : 1007 -36220 -35.97 -182.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -35.97 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_2HDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HDO-query.scw PDB file : Tito_Scwrl_2HDO.pdb: