Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MNRRNDMSVYGR----VEEVHKENREPLEYQIEQESHHRESSRLPLVKILLWSTLVTGITLGVPLLLDLMSAQEVQDFY----AGWALHQTGKIYSDYYGSQGLLYYLLTYVSQGGFFFAIF---EWLALVAGGFFLFRSADTLTEQGDQAGHLVTIFYMLVTGLAFGGGYATL------LALPFLFAAFSLVAAYLSNPSHDKGFVRIGLALAGGFFFAPLSSLLFIAVVSLGLLVFNLGHRRFVHG-----FYQFLAVALGFSLVFYPTAYYSAATGSFGDAISGIRYPIDSIRFDFTSKILENMFFYG------------LLSLGLGFVVCIFLGLFQSKPFKLYVISVPASLVVILGLILLFFSQEPLHASYLMVV-FPVFLLLLVTN---IKSQQRGRSARRSRRETPVSLW-------------SRFFKGNLYL---LVFGFVYLLSVPFLMKFVLY---PVPYQERNRLADLVKEETNTEDAIYAWDDTATLYRKSERLSPSAILSPLHYTA-TEENRNKLLNDLKEKQ-----PKVIVVNDKVVVWSEVETLLKENYQQVKTDYSEFKVYKIK 3SAM Chain:A ((25-572)) AMNNTIINSLISIKRSNVFAVDSQIPTLYMPQYISLSGVMTNDNQAIASFEIRDQYITALN-HLVLSLELPEVKGMGRFGYVPYVGYKCINHVSISSCNG---------VIWEIEGEELYNNCINNTIALKHSGYSSELNDISIGLTPNDTIKEPSTVYVYIKTPFDVEDTFSSLKLSDSKITVTVTFNPVSDIVIR------DSSFDFETFNKE--FVYVPELSFIGYMVKNVQIKPSFIEKPRRVIGQINQPTATVTEVHAATSLSVYTKPYYGNTDNKFI-SYPGYSQDEKDYIDAYVSRLLDDLVIVSDGPPTGYPESAEIVEVPEDGIVSI-----QDADVYVKIDNVPDNMSVYLHTNLLMFGTRKNSFIYNISKKFSAITGTYSDATKRTIFAHISHSINIIDTSIPVSLWTSQRNVYNGDNRSAESKAKDLFINDPFIKGIDFKNKTDIISRLEVRFGNDVLYSENGPISRIYNELLT--------KSNNGTRTLTFNFTPKIFFRPTTITANVSRGKDKLSVRVVYSTMGVNHPIYYVQKQLVVVCNDLYKVSYDQ---------GVSITKIM

General information: TITO was launched using: RESULT: Template: 3SAM.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 : 2271 -90749 -39.96 -190.25 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -39.96 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.184

(partial model without unconserved sides chains): PDB file : Tito_3SAM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SAM-query.scw PDB file : Tito_Scwrl_3SAM.pdb: