Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVLMIGFPGEGHINPSIGVMKELKSRGENITYYAVKEYKEKITALDIEFREYHDFRGDY--FGKN-ATG-----DEERDFTEMLCAFLKACKDIATHIYEEVKHESYDYVIYDHHLLAGKVIANMLKLPRFSLCTTFAMNEEFAKEMMGAYMKGSLEDSPHYESYQQLAETLNADFQAEIKKPFDVFLADGDLTIVFTSRGFQPLAEQFGERYVFVGPSITERAGNNDFPFDQIDNENVLFISMGTIFNN---QKQFFNQCLEVCKDFDGKVVLSIGKHIKTSELNDIPENFIVRPYVPQLEILKRASLFVTHGGMNSTSEGLYFETPLVVIPMGGDQFVVADQVEKVGAGKVIKKEEL--SESLLKETIQEVMNNRSYAEKAKEIGQSLKAAGGSKKAADSILEAVKQKTQSANA 3TSA Chain:A ((1-386)) HMRVLVVPLPYPTHLMAMVPLCWALQASGHEVLIAAPPELQATAHGAGLTTAGI-------LRFPNPAFGQRDTEAGRQLW-EQTASNVAQSSLDQLPEYLRLAEAWRPSVLLVDVCALIGRVLGGLLDLPVVLHRW--GVD-P-----TAGPFS---DR---AHE--LLDPVCR-----HH---GLTGLPTPELILDPCPPSLQASDAPQGAPVQYVPYNGS-GAFPAWGA--ARTSARRVCICMGRMVLNATGPAPLLRAVAAATELPGVEAVIAVPPEHRA-LLTDLPDNARIAESVPLNLFLRTCELVICAGGSGTAFTATRLGIPQLVLPQYFDQFDYARNLAAAGAGICLPDEQAQSDHEQFTDSIATVLGDTGFAAAAIKLSDEITAMPHPAALVRTLENT----------

General information: TITO was launched using: RESULT: Template: 3TSA.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 : 2125 -58112 -27.35 -161.87 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -27.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_3TSA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TSA-query.scw PDB file : Tito_Scwrl_3TSA.pdb: