Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MDKLTK-EELIFLVKELMNPTLDDEKVSEYLDLLEKNV-PYPAPSDLIFWS--NEDYTAEQVVKIALNYKDE-------------------------------------------------------------------------------------------- 1DDT Chain:? ((200-380)) SCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVESIINLFQVVHNSYNRPAY

General information: TITO was launched using: RESULT: Template: 1DDT.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 : 149 -7195 -48.29 -105.80 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -48.29 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1DDT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DDT-query.scw PDB file : Tito_Scwrl_1DDT.pdb: