Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLDDLQAATKIQKRYLTALEEGNYDIIPGKFYVRAFIKQYAEAVGLDADQLFEEHKKDIPNTYHDDVSEKISGMNLQKEMPKPASKALELLPTILVILGVIVVIAIVYAIIQFANHKNSDDHNAASEKAITQSESKYEIPKDSTLKENQNNSSEKETDTKKETKENEDKKKENDSEKLEIKAAGTEGSLTTYEVSGADKIELELKASDSSWIRVRDENSSSLKEGTLKKDETYKKDITDQKQVDIRTGYAPNLKIKINGKVLSYELDPKKVMAQTIKIVNKKEEKSS 3G5G Chain:A ((22-73)) MTQEDLAYKSNLDRTYISGIERNSRN-LT-----IKSLELIMKGLEVSDVVFFEMLIK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3G5G.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 : 127 -18506 -145.72 -355.88 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -145.72 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.712

(partial model without unconserved sides chains): PDB file : Tito_3G5G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G5G-query.scw PDB file : Tito_Scwrl_3G5G.pdb: