Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMA--MYAD---PNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLIL----PQAKEEQADTSEQHHI 3QE7 Chain:A ((4-410)) ---RAI--GVSERPPLLQTIPLSLQHLFAMFGATVLVPVLFHINPATVLLFNGIGTLLYLFICKGKIPAYLGSSFAFISPVLLLLPLGYE-VALGGFIMCGVLFCLVSFIVKKAGTGWLDVLFPPAAMGAIVAVIGLELAGVAAGMAGLLPAEGQTPDSKTIIISIT-------TLAVTVLGSVLFRGFLAIIPILIGVLVGYALSFAMGIVDTTPIINAHWFALPTLYTPRFEWFAILTI------LPAALVVIAEHVGHLVVTANIVKKDLLRDPGLHRSMFANGLSTVISGFFGSTPNTTYGENIGVMAITRVYSTWVIGGAAIFAILLSCVGKLAAAIQMIPLPVMGGVSLLLYGVIGASGIRVLIESKVDYNKAQNLILTSVILIIGVSGA--KVNIGAAELKGMALATIVGIGLSLIFKLIS----------------

General information: TITO was launched using: RESULT: Template: 3QE7.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 : 2085 -329101 -157.84 -826.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -157.84 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_3QE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QE7-query.scw PDB file : Tito_Scwrl_3QE7.pdb: