Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKEITFSVFFLQFIEKSLYFASYSFFVTIRNGTSKKMKKQGTRYMEKKQKIILGATSALTIVILILSLFFVIRSSTKKEPIIPEKKITEKAKEPTDDKQQLVTQAKNLAQSYDYDQAIALLEKDSKNGSTETQQLLQTLKKEKEQLIDWSDPTQISHVFFHSLIVDPQKAFHSQQAQGYKDYMVTVEEFNRSIEQLYQNDFVLVNLNDLIQKDEQGNLSFNGLALPEGKKPLVLSQDDVSYYEYMDNSGFPSRLV-VSNNNEIKNVYKEKDKEEIGDFDMVPLIDAFVKKHPDFSYRGAKGTLALTGYNGVLGYRTSKSQYGDNEKTKKEIKEAKKVAEQLKKDGWSFASHTWGHLNMTQA-----SLEDVKKDNELWQQEVAPILGK---TNILIYPFGADISDWQPYSAE--NQKFAYLKSQGFDI-FCNVDASTPAWGQLGTDFYRNARINIDGIRFQSDLDGKNPILDPFINVHDVYDKEARESA 2W3Z Chain:A ((84-243)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EGYA-YSAETVRQMMNN-------------QKLVFLTFDD----------GVDPNMTPK----------------------ILDVLAQQ----------HVHATFFLVGCNITD--------------------KVKPILQRQITEGHALGIHSFSHVYSLLYPNRVGNTQQIVSEVTRTQNALKDQLGQNFKTGVWRYPGGH-------LSWTGLEAADKQLAAQGIQWMDWNAAV------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W3Z.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 : 566 1126 1.99 7.93 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 1.99 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.383

(partial model without unconserved sides chains): PDB file : Tito_2W3Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W3Z-query.scw PDB file : Tito_Scwrl_2W3Z.pdb: