Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKALIFTVIFGIIFLAVLLVSASIYKSAMAQKEEGHEAAAAEAKKETDLAHVDQVETFVGKEKYYVVKGTDKKGTALYVWVPADKKAKILSKEAKEGISEDKAAKIIKDEGLVSKQKEVHLAREGNVLLWEVTYLDKEGQYSLSYVDFTTGKILKNITP 4K61 Chain:A ((25-75)) -----------------------------------------------------------------------------------------------------PADVQAALKKMYPTADGVAWSHD----ESYYVADFLMNGFDTK-VWFDG-QAQWVMQ---

General information: TITO was launched using: RESULT: Template: 4K61.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 : 165 -16948 -102.71 -332.30 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -102.71 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_4K61.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K61-query.scw PDB file : Tito_Scwrl_4K61.pdb: