Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERIYLDHAATSPMDERVLEQMIPHFSGSFGNPSSIHSFGRESRKWVDEARAQIAAEIGAAEQEIIFTSGGTEADNLAIMGTALARKDLGR-HIITTKIEHHAVLHTCEKLEGDGFDITYLDVDQNGRVSAKQVKEALRDDTILVTVMYGNNEVGTVQPIEEIGELLKEHKAYFHTDAVQAFGLLPIDVKNSHIDLLSVSGHKLNGPKGTGFLYASK-------DVKLSPLLFGGEQERKRRAGTENVPGIVGLKEAIKLSSEERDEKNEKYQSFKAIFADTLRDAGVAFEVNGDKEHSLPHVLNLYFPGVSVEALLVNL-DMAGVAVSSGSACTAGSVLPSHVLTAMFGEESDRLTSSIRISFGLGNTAEQVKTAAKHVADVVKRLT 3VAX Chain:B ((23-379)) ----YLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDL-TTPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGL--ASTSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDL--VAVATGSASTSASFTPSHVLRAM-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 B - contact count / total energy / energy per contact / energy per residue : 1826 10968 6.01 31.52 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : 6.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.465

(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: