Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLDDLQAATKIQKRYLTALEEGNYDIIPGKFYVRAFIKQYAEAVGLDADQLFEEHKKDIPNTYHDDVSEKISGMNLQKEMPKPASKALELLPTILVILGVIVVIAIVYAIIQFANHKNSDDHNAASEKAITQSESKYEIPKDSTLKENQNNSSEKETDTKKETKENEDKKKENDSEKLEIKAAGTEGSLTTYEVSGADKIELELKASDSSWIRVRDENSSSLKEGTLKKDETYKKDITDQKQVDIRTGYAPNLKIKINGKVLSYELDPKKVMAQTIKIVNKKEEKSS 2WUS Chain:R ((21-80)) ITLLDASLFTNINPSKLKRIEEGDLKGLDAEVYIKSYIKRYSEFLELSPDEMLKLYEEGK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WUS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 158 -21125 -133.70 -352.08 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain R : 0.64 3D Compatibility (PKB) : -133.70 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.671

(partial model without unconserved sides chains): PDB file : Tito_2WUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WUS-query.scw PDB file : Tito_Scwrl_2WUS.pdb: