Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLSKLLDHWFPHPFVSFLIIIFWLMLAHSLDASDLLMAVILGLVIPRLVRPFITRTPHIHWKPAIKLCFVVLWDIIISNFRVAKLVLGPPKKLHPKWYRVPLETEHEQVNSLLAMIITTTPGTVSAGIDQERGDILVHSLSTENTESDV-QDIKQRYEAPLIEIFDVKSKSEDNA 2YCK Chain:X ((75-130)) -----------------------------------------------------------------------------------------------------------QEVVDLPCCLDSTNPDAIEAGLKVHRGHAMINSTSADQWKMDIFFPMAKKYEAAII-------------

General information: TITO was launched using: RESULT: Template: 2YCK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 170 -13371 -78.65 -243.10 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain X : 0.53 3D Compatibility (PKB) : -78.65 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_2YCK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YCK-query.scw PDB file : Tito_Scwrl_2YCK.pdb: