Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLDDLQAATKIQKRYLTALEEGNYDIIPGKFYVRAFIKQYAEAVGLDADQLFEEHKKDIPNTYHDDVSEKISGMNLQKEMPKPASKALELLPTILVILGVIVVIAIVYAIIQFANHKNSDDHNAASEKAITQSESKYEIPKDSTLKENQNNSSEKETDTKKETKENEDKKKENDSEKLEIKAAGTEGSLTTYEVSGADKIELELKASDSSWIRVRDENSSSLKEGTLKKDETYKKDITDQKQVDIRTGYAPNLKIKINGKVLSYELDPKKVMAQTIKIVNKKEEKSS 3VK0 Chain:A ((35-83)) WSQEELARQCGLDRTYVSAVERKRW-NI-----ALSNIEKMAAALGVAAYQLLLP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VK0.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 : 130 -23010 -177.00 -469.58 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -177.00 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.726

(partial model without unconserved sides chains): PDB file : Tito_3VK0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VK0-query.scw PDB file : Tito_Scwrl_3VK0.pdb: