Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MINESTVLSKNPEM---PSRKYLKSIIIEPGITLNEMASDIY--NHIDGKVSIHDICSKIVNEYDVDYQTCLEDCMELFELL-IDHEAIKVKQGA----------------------------------------------------------------------------------------- 4U1D Chain:A ((6-493)) FRPENAIKRADELISVGEKQAALQSLHDFITARRIRWATPSTVEPVVFKFLEIGVELKKGKLLKDGLHQYKKLIQGSTEGLVSVGAVARKFIDLVESKIASEQTRADELQKQEIDAITSWLRFTWESYRAVLDLLRNNALLEITYSGVVKKTMHFCLKYQRKNEFKRLAEMLRQHLDAANYQQSKSGNNLVDLSDADTLQRYLDQRFQQVDVSVKLELWHEAYRSIEDVFHLMKISKRAPKPSTLANYYENLVKVFFVSGDPLLHTTAWKKFYKLYSTNPRATEEEFKTYSSTIFLSAISTQLDEIPSIGYDPHLRMYRLLNLDAKPTRKEMLQSIIEDESIYGKVD--------------------EELKELYDIIEVNFDVDTVKQQLENLLVKLSSKTYFSQYIAPLRDVIMRRVFVAASQKFTTVSQSELYKLATLPAPLDLSAWDIEKSLLQAAVEDYVSITIDHESAKVTFAK

General information: TITO was launched using: RESULT: Template: 4U1D.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 : 204 -2747 -13.47 -39.81 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -13.47 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_4U1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U1D-query.scw PDB file : Tito_Scwrl_4U1D.pdb: