Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQVYLVGGAVRDYLLGHSYQEKDYVVVGATPEHM--LAQGFQPVGKDFP---VFLHPETKEEYAL--ARTERKSGQGYHGFQFFTDTTVSLEDDLIRRDLTINAIAMD-QDGKIYDPYGGQNDLENKILRHVSEA---FAEDPLRVLRVARFAARYFPYGFQIAPETLQLMQTMADSGELDALTPERVWKETSRALMENHADIYFQTLRDCGALKHLFPEIDALFGVPQRPEYHPEVDCGIHTLMSLQQACKSNYSLDVRFAVLVHDLGKALTPAKELPRHIMHEERGIKPVTQLCERLRVPTQTKQLALSVCKEHLKCHQIMSLKPGTLWRLLQRLDVLRRPERVEAFVQACECDAKGRLGLEDRPYPQAQYMREAMQIVRSIKVQDLPENIKGAEIGEMLIQYRIEALAEFKNQHQSLSHS 3AQM Chain:A ((34-256)) -EAWLVGGGVRDLLLGKKPKDFD-VTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG------------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAK---LGMRISPETAEPIPRLATL--LNDIPPARLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AQM.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 : 826 -9439 -11.43 -49.94 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -11.43 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_3AQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQM-query.scw PDB file : Tito_Scwrl_3AQM.pdb: