Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERIYLDHAATSPMDERVLEQMIPHFSGSFGNPSSIHSFGRESRKWVDEARAQIAAEIGAAEQEIIFTSGGTEADNLAIMGTALARKDLG-RHIITTKIEHHAVLHTCEKLEGDGFDITYLDVDQNGRVSAKQVKEALRDDTILVTVMYGNNEVGTVQPIEEIGELLKEHKAYFHTDAVQAFGLLPIDVKNSHIDLLSVSGHKLNGPKGTGFLYASKDVKL-------SPLLFGGEQERKRRAGTENVPGIVGLKEAIKLSSEERDEKNEKYQSFKAIFADTLRDAGVAFEVNGDKEHSLPHVLNLYFPGVSVEALLVNLDMAGVAVSSGSACTAGSVLPSHVLTAMFGEESDRLTSSIRISFGLGNTAEQVKTAAKHVADVVKRLT 3VAX Chain:A ((22-379)) ---TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLTT-PIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLAST--SFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLK-DLVAVATGSASTSASFTPSHVLRAM-GLPEEAASKSLRFSWTPG---------------------

General information: TITO was launched using: RESULT: Template: 3VAX.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 : 1850 6912 3.74 19.75 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 3.74 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_3VAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAX-query.scw PDB file : Tito_Scwrl_3VAX.pdb: