Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHVKALAIKGIMTIIVLYLVLGLGFGFTFGDTLLMTIVLGVISYLLGDLYVLPKWNNMIATLADFGLAFLVIWLMGMPLSMGMTGGEVALAALFGAIVMAIGEYCFHFYMMSKEIGKKHYLETRTDS 4CDI Chain:A ((341-409)) ---VKTLVEAIILVFLVMYLFLQ-----NFRATLIPTIAVPVV--LLGTF----------AVLAAFGFSINTLTMFGMVLAIGL--------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CDI.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 : 109 -27861 -255.61 -435.33 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -255.61 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4CDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CDI-query.scw PDB file : Tito_Scwrl_4CDI.pdb: