Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRLENKTAVITGAATGIGQATAEVFANEGARVIIGDINKDQMEETVDAIRKNGGQAESFHLDVSDENSVKAFADQIKDACGTIDILFNNAGVDQEGGKVHEYPVDLFDRIIAVDLRGTFLCSKYLIPLMLENG-GSIINTSSMSGRAADLDRSGYNAAKGGITNLTKAMAIDYARNGIRVNSISPGTIETPLIDKLAGTKEQEMGEQFREANKWITPLGRLGQPKEMATVALFLASDDSSYVTGEDITADGGIMAYTWPGKMLIEEKWKEETK 4NBU Chain:A ((9-249)) -SRLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEA---NPGVV-FIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDS-MLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMV--------AEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIM-------------------

General information: TITO was launched using: RESULT: Template: 4NBU.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 : 1371 -68721 -50.12 -286.34 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -50.12 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_4NBU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NBU-query.scw PDB file : Tito_Scwrl_4NBU.pdb: