Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEYGFKDDSLSLHTDLYQINMAETYWRDGIHEKKAIFELFFRRLPFENGYAVFAGLEKAIEYLENFKFTDSDLSYLQDE--LGYHEDFIEYLRGLSF-TGSLYSMKEGELVFNNEPIMRVEAPLVEAQLIETALLNIVNYQTLIATKAARIKGVI-GDEVALEFGTRRAHEMDAAMWGARAALIGGFSATSNVRAGKRFNIPVSGTHAHALVQAYR----------------------------------------------DEYTAFKKYAETH-KDCVFLVDTYDTLRSGMPNAIRVAKEFG-DRINFIGIRLDSGDLAYLSKKARKMLDEA-------GFTDAKVIASSDLDEHTIMNLKAQGARIDVWGVGTKLITAYDQPALGAVYKLVAIEEDGKMVDTIKISSNPEKVTTPGRKKVYRIINQSNHHSEGDYIALYDEQVNDQ-KRLRMFHPVHTFISKFVTNFYAKDLHELIFEKGILCYQNPEISDIQQYVQDNLSLLWEEYKRISKPEEYPVDLSEDCWSNKMQRIHEVKSRIEEELEEE 4YUB Chain:A ((16-533)) ------------LLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVAGTLAHSFVTSFSGSEVPPDPMLAPAAGEGPGVDLAAKAQVWLEQVCAHLGLGVQEPHPGERAAFVAYALAFPRAFQGLLDTYSVWRSGLPNFLAVALALGELGYRAVGVRLDSGDLLQQAQEIRKVFRAAAAQFQVPWLESVLIVVSNNIDEEALARLAQEGSEVNVIGI-----------SLGGVYKLVAVGG----QPRMKLT-------LPGSKAAFRLLGSDGSPL-MDMLQLAEEPVPQAGQELRVWPPGAQEPCTVRP-AQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSERLQALVNSLC--------------

General information: TITO was launched using: RESULT: Template: 4YUB.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 : 2203 -50961 -23.13 -115.82 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -23.13 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_4YUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YUB-query.scw PDB file : Tito_Scwrl_4YUB.pdb: