Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADYNVSMRDLLQAGAHFGHQTRFWNPKMRQYIFGARNKIHIINLEHTVPALNDALNFANQLASKKNKVLFVGTKRAASNIIREQAQRAGQPYVDHRWLGGMLTNWKTLRQSINRLKDLQTQSQDGTFAKLTKREALERTREMEKLERSLGGVKNMGGLPDALFVIDVDHEAIAIKEAKNLGIPVIGIVDTNSNPDNVDYVIPGNDDAIRAVTLYASAMADAILAGKEYAQSQANAQAKGDDAAKDASEA 5NO3 Chain:B ((1-222)) -----VSMRDMLKAGVHFGHQTRYWNPKMKPFIFGARNKVHIINLEKTVPMFNEALAELNKIASRKGKILFVGTKRAASEAVKDAALSCDQFFVNHRWLGGMLTNWKTVRQSIKRLKDLETQSQDGTFDKLTKKEALMRTRELEKLENSLGGIKDMGGLPDALFVIDADHEHIAIKEANNLGIPVFAIVDTNSDPDGVDFVIPGNDDAIRAVTLYLGAVAATVREGR-----------------------

General information: TITO was launched using: RESULT: Template: 5NO3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1051 -123869 -117.86 -557.97 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -117.86 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.629

(partial model without unconserved sides chains): PDB file : Tito_5NO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NO3-query.scw PDB file : Tito_Scwrl_5NO3.pdb: