Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKLDEMTAYLPPFLTKLKEMAELLKAEAPEFEKQNNSIFDLTDQLFVTTATWGLERWEKILNV-PRE-SGDTDEIRRLRLISKMSNIPPATYRAIEHALNRFLKNPSAQVRLLPGEYRFKVDIDIDDMQHMSELIETLENMKPAHLAYTLRAALNEPLQIKDTVILNNRRYRKASELKVGYSVTLNNNEVVLV 2XL4 Chain:A ((26-172)) RPKLS-------------TKDLALIKADLAEFEARELSSEKILKDTIKEESWSDLDFANDNINQMIGTMKRYQQEILSIDAIKRASE-------------------ASADTEAFKKIFKEWSEFKIERIQVTIDLL----NGKKDSEAVFKKTYPN---QIIFKKVRTNKLQTALNNLKVGYELLD--------

General information: TITO was launched using: RESULT: Template: 2XL4.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 : 492 13625 27.69 93.97 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 27.69 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_2XL4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XL4-query.scw PDB file : Tito_Scwrl_2XL4.pdb: