Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVP-----WYTINLDLPPYKR--WHELMLDKAPVLKVIVNSLKNMINTFVPSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISF-NIFYELFTICTSIVAEDKKGHLIHGRNMDFGVF--------------LGWNINNDT---WVITEQLKPLTVNL-----DFQRNNKTVFKASSFAGYVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKILAPAYFILGGNQSGEGCVITRDRKESLDVYE---------------LDAKQGRWYVVQTNYDRWKHPFFLDDRRTPAKMCLNRTSQENISFETMYDVLSTKP----VLNKLTVYTTLIDVTKGQFETYLRDCPDPCIGW-------------- 5HTX Chain:A ((14-437)) --EKLYLGMDFGTSGGRFTVIDEQGEIKAQGKREYPPFMKEESMGWASSWKATLFSLLEDIPVTVRSLVSSISLDGTSATTLILNS---------ESGEVLCQ-----PYLYNQSCPDALPEVKSIAP----ANHTVCSGTSTLCKLVSWWNTEVPNRESAVLLHQADWLLWLLHGRLGVSDYNNALKVGYDPESESYPSWLLGQPYSQLLPKVQAPGTSIGNLKESFTRQFGFPDDCIVCTGTTDSIAAFLA-----ARATEPGKAVTSLGST--LAIKLLSTKRVDD-------ARYGVYSHRLDDKWLVGGASNTGGAILRQLFSDEQLERLSQEINPMVGSPLDYYPLQSSGERFPIADPNLAPRLLPRPESDVEFLHGILESIARIEGKGYKLLKELGATEAEEVLTAGGGAKNDKWIKIRQRVLGLPVKKAVHTEASYGASLLALKGAKQNS

General information: TITO was launched using: RESULT: Template: 5HTX.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 : 1919 -42241 -22.01 -117.01 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -22.01 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.151

(partial model without unconserved sides chains): PDB file : Tito_5HTX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HTX-query.scw PDB file : Tito_Scwrl_5HTX.pdb: