Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLAGLSREVEENLNKGSWIRKLFDEGARLKKEFGEDQVFDFSLGNPI---VEPPEAFKRALIEEAEKGSHGYIQNQGLLAAREKVAQFLGSRFEADFSAERIVMTVGAGGALNVALKSIVNPGEEVIILAPYFAEYKLYIENYGGKAVSCPLTSR--FEIDIEAVRQSITPQTKGLILNTPHNPTGTVLSQKNIDDLGALLKEIEEKSGQTIYVLFDEPYSQLIYDEELANP--FQSYHRVILASSFSKDLGIAGERLGYIGLDSRMPDADLLINAFVYCNRTLGFVNAPVMMQRAVA----RMDDLRVDASAYKERRDLMVDILKE-AGFEFEMPKGGFFVFPK---SPIEDEVAFCVHAAQKYKLLIVPSSGFGM--SGHFRLSFSVPIEQIKNSRDIFISLYKDFA 1XI9 Chain:A ((39-402)) -------------------------------------KVIRLNIGDPVKFDFQPPEHMKEAYCKAIKEGHNYYGDSEGLPELRKAIVEREKRKNGVDITPDDVRVTAAVTEALQLIFGALLDPGDEILVPGPSYPPYTGLVKFYGGKPVEYRTIEEEDWQPDIDDIRKKITDRTKAIAVINPNNPTGALYDKKTLEEILNIAGEYE------IPVISDEIYDLMTYEGEHISPGSLTKDVPVIVMNGLSKVYFATGWRLGYMYFVDPENKLSEVREAIDRLARIRLCPNTPAQFA-AIAGLTGPMDYLKEYMKKLKERRDYIYKRLNEIPGISTTKPQGAFYIFPKIEVGPWKNDKEFVLDVLHNAHVLFVHGSGFGEYGAGHFRAVFLPPIEILEEAMDRFEKFMKE--

General information: TITO was launched using: RESULT: Template: 1XI9.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 : 1933 -203942 -105.51 -587.73 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -105.51 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_1XI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XI9-query.scw PDB file : Tito_Scwrl_1XI9.pdb: