Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MNAPVALTPELLTQLTAIVGENRIKTDADS---------LENWGKDHTKHFNPNPSVIVFPSTTEQVQEVVKLANQFNIAITPSGGRTGLSAGAVAT--KGEIVISM-DKMNQILEFFPADRMVRVQAGVVTEQLQNYAEEQGMYYPVDF----ASAGSSQIGGNIGTNAGGIKVIKYGMTR-----NWVLGLTVVT-GKGDILRLNKGMIK---------------------NATGYALQHLF-----------IGGEGTLGLVTEAEIKLERQPQNLQVLVLGVPDFDAVMPVLHAFQKDIDLTAFEF--------------------------FGELTMQKVLDRGHVQRPFETQCPFYVLLEFEAPYEPIIDKAMEIFEHCMEQGWVLDGVMSQSLDQVESLWRLREDI--------SESIAPFIPYKND--------------ISVLITHVPAFIREIDAIVQENYPY--FEICWFGHIGDGNLHLNILKPENLTKDEFFAKCQVVNKYVFDTVKKYDGSISAEHGV---GMTKKPYLEYSRSA---EEIEYMKALKKVFDPKGIMNPGKLFDL----------- 1VAO Chain:A ((6-560)) EFRPLTLPPKLSLSDFNEFIQDIIRIVGSENVEVISVDGSYMKPTHTHDPHHVMDQDYF--LASAIVAPRNVADVQSIVGLANKFSFPLWPISIGRNSGYGGAAPRVSGSVVLDMGKNMNRVLEVNVEGAYCVVEPGVTYHDLHNYLEANNLRDKLWLDVPDL-GG-GSVLGNAVERGVGYTP-------YGDHWMMHSGMEVVLA-NG--ELLRTGMGALPDPKRPETMGLKPEDQPWSK------IAHLFPYGFGPYIDGLFSQS-NMGIVTKIGIWLMPNPRGYQSYLITLPKDGDLKQAVD----IIRPLRLG-MALQNVPTIRHILLDAAVLGDKRSYSSRTEPLSDEELDKIAKQLNL--GRWNFYGALYGPEPIRRVLWETIKDAFSAIPGV--KFYFPEDTPENSVLRVRDKTMQGIPTYDELKWIDWLP----NGAHLFFSPIAKVS----GEDAMMQYAVTKKRCQE----AGLDFIGTFTVGMREMHHIVCIVFNKKDLIQKRKVQWLMRTLIDDCAAN------GWGEYRTHLAFMDQIMETYNWNNSSFLRFNEVLKNAVDPNGIIAPGKSGVWPSQYSHVTWKL

General information: TITO was launched using: RESULT: Template: 1VAO.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 : 2277 -58332 -25.62 -138.56 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -25.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.380

(partial model without unconserved sides chains): PDB file : Tito_1VAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VAO-query.scw PDB file : Tito_Scwrl_1VAO.pdb: