Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEYGFKDDSLSLHTDLYQINMAETYWRDGIHEKKAIFELFFRRLPFENGYAVFAGLEKAIEYLENFKFTDSDLSYLQDELGYHED--FIEYLRGLSFTG-SLYSMKEGELVFNNEPIMRVEAPLVEAQLIETALLNIVNYQTLIATKAARIKGVIGDEV-ALEFGTRRAHEMDAAMWGARAALIGGFSATSNVRAGKRFNIPVSGTHAHALVQAYR----------------------------------------------DEYTAFKKYAETHKDCV-FLVDTYDTLRSGMPNAIRVAKEFGD-RINFIGIRLDSGDLAYLSKKARKMLDEAG-------FTDAKVIASSDLDEHTIMNLKAQGARIDVWGVGTKLITAYDQPALGAVYKLVAIEEDGKMVDTIKISSNPEKVTTPGRKKVYRIINQSNHHSEGDYIALYDEQVNDQ-KRLRMFHPVHTFISKFVTNFYAKDLHELIFEKGILCYQNPEISDIQQYVQDNLSLLWEEYKRISKPEEYPVDLSEDCWSNKMQRIHEVKSRIEEELEEE 4YUB Chain:A ((16-523)) ------------LLTDLYQATMALGYWRAGRARDAAEFELFFRRCPFGGAFALAAGLRDCVRFLRAFRLRDADVQFLASVLPPDTDPAFFEHLRALDCSEVTVRALPEGSLAFPGVPLLQVSGPLLVVQLLETPLLCLVSYASLVATNAARLRLIAGPEKRLLEMGLRRAQGPDGGLTASTYSYLGGFDSSSNVLAGQLRGVPVAGTLAHSFVTSFSGSEVPPDPMLAPAAGEGPGVDLAAKAQVWLEQVCAHLGLGVQEPHPGERAAFVAYALAFPRAFQGLLDTYSVWRSGLPNFLAVALALGELGYRAVGVRLDSGDLLQQAQEIRKVFRAAAAQFQVPWLESVLIVVSNNIDEEALARLAQEGSEVNVIGI-----------SLGGVYKLVAVGGQPRM----KLT-------LPGSKAAFRLLG-SDGSPLMDMLQLAEEPVPQAGQELRVWPPGAQEPCT-VRPAQVEPLLRLCLQQGQLCEPLPSLAESRALAQLSLSRLSPEHRRLRSPAQYQVVLSE------------------------

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 : 2108 -34206 -16.23 -79.55 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -16.23 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.414

(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: