Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MQVYLVGGAVRDYLLGHSYQEKDYVVVGATPEHMLA--QGFQPVGKDFPVFLHPETKEEYALARTERKSGQGYHGFQFFTDTTVSLEDDLIRRDLTINAIAMD-QDGKIYDPYGGQNDLENKILR---HVSEAFAEDPLRVLRVARFAARYFPYGFQIAPETLQLMQTMADSGELDALTPERVWKETSRALMENHADIYFQTLRDCGALKHLFPEIDALFGVPQRPEYHPEVDCGIHTLMSLQQACKSNYSLDVRFAVLVHDLGKALTPAKELPRHIMHEERGIKPVTQLCERLRVPTQTKQLALSVCKEHLKCHQIMSLKPGTLWRLLQRLDVLRRPERVEAFVQACECDAKGRLGLEDRPYPQAQYMREAMQIVRSIKVQDLPENIKGAEIGEMLIQYRIEALAEFKNQHQSLSHS 3AQL Chain:A ((1-411)) QVTVIPREQHAISRKDISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDF-DVTTNATPEQVRKLFRNCRLVGRRFRL-AHVMFGPEIIEVAT------------FRGNIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKL---GMRISPETAEPIPRLAT--LLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPMERIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESG--LTYHDAFALAMNDVLDEACR-------------SLAIPKRLTTLTRDIWQLQLRMSR-RQGKRAWKLLEH-------------------PKFRAAYDLLALRAEVE--RNAELQRLVKWWGEFQVSAPPDQKGML------

General information: TITO was launched using: RESULT: Template: 3AQL.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 : 1592 37289 23.42 106.54 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 23.42 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3AQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQL-query.scw PDB file : Tito_Scwrl_3AQL.pdb: