Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQVYLVGGAVRDYLLGHSYQEKDYVVVGATPEHMLAQGFQP--VGKDFPVFLH--PETKEEYALARTERKSGQGYHGFQFFTDTTVSLEDDLIRRDLTINAIAMDQ-DGKIYDPYGGQNDLENKILRHVSE---AFAEDPLRVLRVARFAARYFPYGFQIAPETLQLMQTMADSGELDALTPERVWKETSRALMENHADIYFQTLRDCGALKHLFPEIDALFGVPQRPEYHPEVDCGIHTLMSLQQACK-----SNYSLDVRFAVLVH-DLGKALTPAK---ELPRHIMHEERGIKPVTQLCERLRVPTQTKQLALSVCKEHLKCHQIMSLKPGTLWRLLQRLDVLRRPERVEAFVQACECDAKGRLGLEDRPYPQAQYMREAMQIVRSIKVQDLPENIKGAEIGEMLIQYRIEALAEFKNQHQSLSHS 3AQK Chain:A ((50-402)) -EAWLVGGGVRDLLLGKKPKDFDVTT-NATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFR----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKL---GMRISPETAEPIPRLA--TLLNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYFTENGDSPME------RIIEQVLKNTDTRIHNDMRVNPAFLFAAMFWYPLLETAQKIAQESGLTYHDAFALAMNDVLDEACRSLAIPKRLTTLTRDIWQLQLRMSRRQ---GKRAWKLLEHPKF---RAAYDLLALRAEVERN-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AQK.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 : 1319 -14633 -11.09 -46.90 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -11.09 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_3AQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQK-query.scw PDB file : Tito_Scwrl_3AQK.pdb: