Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQVYLVGGAVRDYLLGHSYQEKDYVVVGATPEHMLAQGFQPVGKDFPVFLHP------------ETKEEYALARTERKSGQGYHGFQFFTDTTVSLEDDLIRRDLTINAIAMDQD----GKIYDPYGGQNDLENKILRHVSE-AFAEDPLRVLRVARFAARYFPYGFQIAPETLQLMQTMADSGELDALTPERVWKETSRALMENHADIYFQTLRDCGALKHLFPEIDALFGVPQRPEYHPEVDCGIHTLMSLQQACKSNYSLDVRFAVLVHDLGKALTPAKELPRHIMHEERGIKPVTQLCERLRVPTQTKQLALSVCKEHLKCHQIMSLKPGTLWRLLQRLDVLRRPERVEAFVQACECDAKGRLGLEDRPYPQAQYMREAMQIVRSIKVQDLPENIKGAEIGEMLIQYRIEALAEFKNQHQSLSHS 4WC0 Chain:B ((11-223)) LRAYIVGGVVRDILLGKEVWDVDFVVEGNAIE--LA---KELARRHGVNVHPFPEFGTAHLKIGKLKLEFATARRE----------------PASLKEDLIRRDFTINAMAISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVSFIEDPVRILRALRFAGR---LNFKLSRSTEKLLKQAVNLGLLKEAPRGRLINEIKLALRED--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WC0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 756 -17058 -22.56 -104.01 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -22.56 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_4WC0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WC0-query.scw PDB file : Tito_Scwrl_4WC0.pdb: