Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVPKTMLLSTAAGLLLSLTATSVSAHYVNEEHHFKVTAHTETDPVASGDDAADDPAIWVHEKHPEKSKLITTNKKSGLVVYDLDGKQLHSYEFGKLNNVDLRYDFPLNGEKIDIAAASNRSEGKNTIEVYAIDGDKGKLKSITDPNHPIS-TNISEVYGFSLYHSQKTGAFYALVTG-KQGEFEQYEIVDGGKGYVTGKKVREFK---LNSQTEGLVADDEYGNLYIAEEDEA-IWKFNAEPGGGSKGQV---VDRATGDH---------LTADIEGLTIYYAPNGKGYLMASSQGN-----NSYAMYERQGKNRYVANFEITDGEKIDGTSDTDGIDVLGFGLGPKYPYGIFVAQDGENIDNGQAVNQNFKIVSWEQIAQHLGEMPDLHKQVNPRKLKDRSDG 1JOF Chain:A ((119-291)) -----------------------------------------------------------------------------------------------------------------------------GYGNVFSVSET-GKLEKNVQ---NYEYQENTGIHGMVFDPT---E-TYLYSADLTANKLWTHRKLAS--GEV--ELVGSVDAPDPGDHPRWVAMHPTGNYLYALMEAGNRICEYVIDPATHMPVYTHHSFPLIPPGIPDRDPETGKGLYRADVCALT--FSG-KYMFASSRANKFELQGYIAGFKLRD--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JOF.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 : 682 19088 27.99 127.25 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 27.99 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_1JOF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JOF-query.scw PDB file : Tito_Scwrl_1JOF.pdb: