Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLVTGCLGQIGSELITRLRQELGSENVIATDIRMPEVIEKNDIFEILDVMDYEKMRSIAEQYQVDTLIHLAALLSAVAEAKPQLAWNLNVTGLVNALEVAREFQL-KFFTPSSIGAFGPNTPKDHTPQDTLQRPTTMYGVTKVAGELLCDYYYVKYGVDTRGVRFPGLISYATLPGGGTTDYAVDIYYSAIKEGKYTSFIDQGTSMDMMYMPDAIDAIIKLMNADPDRLVHRNAFNISAMSFDPEEIKASIQKIIPDFEMDYDVDPVRQSIAESWPNSLDVSCAQEEWGFSPKYDLDVMTKDMLEKLKEKLVETV 3A1N Chain:A ((2-309)) ---ILVTGSSGQIGTELVPYLAEKYGKKNVIASDIVQRDT--GGIKFITLDVSNRDEIDRAVEKYSIDAIFHLAGILSAKGEKDPALAYKVNMNGTYNILEAAKQHRVEKVVIPSTIGVFGPETPKNKVPSITITRPRTMYGVTKIAAELLGQYYYEKFGLDVRSLRYPGIISYKAEPTAGTTDYAVEIFYYAVKREKYKCYLAPNRALPMMYMPDALKALVDLYEADRDKLVLRNGYNVTAYTFTPSELYSKIKERIPEFEIEYKED-FRDKIAATWPESLDSSEASNEWGFSIEYDLDRTIDDMIDHISEKL----

General information: TITO was launched using: RESULT: Template: 3A1N.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 : 1826 -69113 -37.85 -225.12 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -37.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3A1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A1N-query.scw PDB file : Tito_Scwrl_3A1N.pdb: