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 3AQN Chain:A ((34-256)) -EAWLVGGGVRDLLLGKKPKDFD-VTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG------------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAK---LGMRISPETAEPIPRLATL--LNDIPPAHLFEESLKLLQAGYGYETYKLLCEYHLFQPLFPTITRYF------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AQN.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 : 815 -9243 -11.34 -48.90 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -11.34 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_3AQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AQN-query.scw PDB file : Tito_Scwrl_3AQN.pdb: