Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYLKRVLLLLVTGLFMSLFAVTATASAQTGGSFFDPFNGYNSGFWQKADGYSNGNMFNCTWRANNVSMTSLGEMRLALTSPAYNKFDCGENRSVQTYGYGLYEVRMKPAKNTGIVSSFFTYTGPTDGTPWDEIDIEFLGKDTTKVQFNYYTNGAGNHEKIVDLGFDAANAYHTYAFDWQPNSIKWYVDGQLKHTATNQIPTTPGKIMMNLWNGTGVDEWLGSYNGVNPLYAHYDWVRYTKK 3D6E Chain:A ((1-201)) ----------------------------QTGGSFYEPFNNYNTGLWQK-------------WAFDHVSMTSLGEMRLSLTSPSYNKFDGGGNQSVQTYGYGLYEVNMKPAKNVGIVSAFYTSTGPTDGTPWDEIDIEFLGKDTTKVQFNYYTNGVGNHEKIVNLGFDAANSYHTYAFDWQPNSIKWYVDGQLKHTATTQIPQTPGKIYMSLWA----------------LYAHYNWVRYTKR

General information: TITO was launched using: RESULT: Template: 3D6E.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 : 1058 -44726 -42.27 -241.76 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -42.27 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3D6E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D6E-query.scw PDB file : Tito_Scwrl_3D6E.pdb: