Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRYPNGKTFQPKHSVSSQNSQKRAPSYSNRGMTLEDDLNETNKYYLTNQIAVIHKKPTPVQIVNVHYPKRSAAVIKEAYFKQSSTTDYNGIYKGRYIDFEAKETKNKTSFPLQNFHDHQIEHMKQVKA-QDGICFVIISA-FDQVYFLEADKLFYFWDRKEKNGRKSIRKDELEETAYPISLGYAPRIDYISIIEQLYFSPSSGAKG 2WCW Chain:A ((7-124)) ------------------------------KGTRFERDLLVELWK---AGF-AAIRVA---------G---------AG-VSPFPCPDIVAGNGRTYLAIEVKMRK-ELPL---YLSADEVEQLVTFARGFGAEAYVALKLPRAAWRFFPVQMLERT------EKNFKIDESVYPL-GLEIA--------------------------

General information: TITO was launched using: RESULT: Template: 2WCW.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 : 514 -21555 -41.94 -185.82 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -41.94 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_2WCW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WCW-query.scw PDB file : Tito_Scwrl_2WCW.pdb: