Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAIPTLTPLAMPCNSSFEAKDWEILSSHWYPVARIQDVSTAPQRVKLLDVNMALYKTESGEIHLVRDICPHRGVPLTKGWVDGEEIVCPYHGLRYNTEGKCTQIPAQPELTKISDRFSLTKFPVVQRYGLIWTSIHGRDIAKANIPVLDTWDDAEHQAILPPFVDIGGSSGRQLEGFIDVAHFAWVHHNAFANRDNPIVPKYHTERTNYGLKTVYISNVSNYPHELKHLEPEGFLWKRTFEVYPPFSAVLTVDFPEDGILKILNACCPISSNKTRLFVPLTRNFDQTGDLEKVYAFNAQIFAEDQDMVESQKPEELPLDLMMEAHFEADRSSTTYRRILAEWGLSKRYTV 3GKE Chain:C ((9-135)) -----------------------------WYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPHRFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPAS--LNVRSFPVVERDALIW--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GKE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 483 -63048 -130.53 -618.11 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain C : 0.58 3D Compatibility (PKB) : -130.53 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_3GKE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GKE-query.scw PDB file : Tito_Scwrl_3GKE.pdb: