Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIRMPEVIEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQL-KFFTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDRLVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 3AJR Chain:B ((2-308)) ---ILVTGSSGQIGTELVPYLAEKYGKKNVIASDIVQRDT--GGIKFITLDVSNRDEIDRAVEKYSIDAIFHLAGILSAKGEKDPALAYKVNMNGTYNILEAAKQHRVEKVVIPSTIGVFGPETPKNKVPSITITRPRTMFGVTKIAAELLGQYYYEKFGLDVRSLRYPGIISYKAEPTAGTTDYAVEIFYYAVKREKYKCYLAPNRALPMMYMPDALKALVDLYEADRDKLVLRNGYNVTAYTFTPSELYSKIKERIPEFEIEYKED-FRDKIAATWPESLDSSEASNEWGFSIEYDLDRTIDDMIDHISEK-----

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 B - contact count / total energy / energy per contact / energy per residue : 1805 -64126 -35.53 -209.56 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -35.53 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.462

(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: