Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLYKTIWTLLKANKSNLLIGVIITVVATFFFAQNIDVENTSLQDAKIALISEEESPVVDG-LRKYLNDKETVVTLDGTSQKEIDDALYFNRVNIILHLPADFTEQVEVGKMATIKIQSRPDAFSKTVVTQQVNTFLQTLILFQEEDKTIDAAMEQTQMALSVTGEVELSAGYSQRMKKLLTGTTFNFLSYGLFLSIFSGFSVINLAFNRKEISKRNQSAPITKRNLNRKVTFSLISYSLLLFSGFLLLMVLLVIHTSWDITVWYHILNTFLFLLPIISFSACITSLVKNSETSGGIKDIFITGSCFIGGVFVPAEYLPEMVSKIAAFTPTYWFVQNNNLISETLSYNQTFAESFWFNGCVLVAFAAVFSMIQFILGKERNYRWQPNWAKN 3PLR Chain:A ((54-145)) ------------------------------LIAQNHEVVALDIVQAKVDMLNQKISPIVDKEIQEYLAEKP--LNFRATTDKH--DA-YRNADYVIIATPTDYDPKTNYFNTSTVE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PLR.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 : 214 6126 28.62 76.57 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : 28.62 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.231

(partial model without unconserved sides chains): PDB file : Tito_3PLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PLR-query.scw PDB file : Tito_Scwrl_3PLR.pdb: