Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQKLCQAINLFVEVLLEGTEFVHREINQDVFKHISREQADLLKILKVKGPTSPGSLAMYQNVHKSAISNRLKKLLEKGLVQWDDCPEKSDRRSKLINITPSGEHILEELDSAIFNALKPLIDDIDEEHLHSIIEIFTILKSKFKGGDSAE 4XRF Chain:A ((35-107)) ---------------------------------------QFYILKILDHYGASRATTLAKKMYVKPSAITVMIDRLIDQELVER--YHDKDDRRVVIIELTKKGKARVEEAMTA--------------------------------------

General information: TITO was launched using: RESULT: Template: 4XRF.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 : 249 -40137 -161.19 -549.82 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -161.19 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.560

(partial model without unconserved sides chains): PDB file : Tito_4XRF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XRF-query.scw PDB file : Tito_Scwrl_4XRF.pdb: