Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELV-YMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR 2VWB Chain:B ((1-314)) ------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 B - contact count / total energy / energy per contact / energy per residue : 1667 -215616 -129.34 -748.67 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -129.34 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.551

(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: