Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIRMPEVIEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQLK-FFTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDR-LVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 3AJR Chain:A ((1-310)) --MILVTGSSGQIGTELVPYLAEKYGKKNVIASDIVQRD--TGGIKFITLDVSNRDEIDRAVEKYSIDAIFHLAGILSAKGEKDPALAYKVNMNGTYNILEAAKQHRVEKVVIPSTIGVFGPETPKNKVPSITITRPRTMFGVTKIAAELLGQYYYEKFGLDVRSLRYPGIISYKAEPTAGTTDYAVEIFYYAVKREKYKCYLAPNRALPMMYMPDALKALVDLYEADRDKLVLR-NGYNVTAYTFTPSELYSKIKERIPEFEIEYKEDF-RDKIAATWPESLDSSEASNEWGFSIEYDLDRTIDDMIDHISEKLG---

General information: TITO was launched using: RESULT: Template: 3AJR.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 : 1842 -63506 -34.48 -206.19 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -34.48 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_3AJR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AJR-query.scw PDB file : Tito_Scwrl_3AJR.pdb: