Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELV-YMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR 2VWB Chain:A ((1-300)) ------MICLGLEGTAEKTGVGIVTSDGEVLFN---KTIM-----------EAADHHAETFPKLIKEAFEV--VDKNEIDLIAFSQGPGLGPSLRVTATVARTLSLTLKKPIIGVNHCIAHIEIGKLTTEAEDP-LTLYVSGGNTQVIAYVSK--KYRVFGETLDIAVGNCLDQFARYVNLPHPGGPYIEELARKGKKLVDLPYT---VKGMDIAFSGLLTAAM----RAYDAGERL--EDICYSLQEYAFSMLTEITERALAHTNKGEVMLVGGVAANNRLREML-KAMCEGQNVDFYVPPKEFCGDNGAMIAWLGLLMHKNG-----------------------

General information: TITO was launched using: RESULT: Template: 2VWB.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 : 1699 -219306 -129.08 -761.48 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -129.08 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_2VWB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VWB-query.scw PDB file : Tito_Scwrl_2VWB.pdb: