Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFSMQTIPVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQPKKR----KK------------------------QGIKKTLSV-LFKNKPLLMLISSFLAFAIG-----FNIKLSTMVYYFTYNVNHKE-FVFMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITAALSLIS-YAGLH----FTPYSSIPLIFIWLF-ASGFFTTP-LNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 4LDS Chain:A ((14-400)) -------------------------------LGGLLYGYDNGVISGA-LLFIHKDIPLNSTTEGIVVSSMLIGAIVGAGSSGPLADK----LGRRRLVM-LIAIVFIIGALILAASTN------LALLIIGRLIIGLAVGGSMSTVPVYLSEMAPT-EYRGSLGSLNQLMITIGILAAYLVNYAFAD-------IEGWRWMLGLAVVPSVIL-LVGIYFMPESPRWLLENRNEEAARQVMKITYDDSEIDKELKEMKEINAISES-TWTVIKSPWLGRILIVGCIFAIFQQFIGINAVIFYSSSIFA-KAGLGEAASILGSVGIGTINVLVTIVAIFVVDKIDRKKLLVGGNIGMIASLLIMAILIWTIGIASSAW-IIIVCLSLFIVFFGISWGPVLWVMLPELFPM-------RARGAATGISALVLNIGTLIVSLFFPILSDALST--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LDS.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 : 1668 -277266 -166.23 -803.67 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -166.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_4LDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LDS-query.scw PDB file : Tito_Scwrl_4LDS.pdb: