Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFSPLCWIVPSIYVIMKEGFKIGKGVFMLKLGVIGTGAISHHFI-E-------AAHTSGEYQLVA---------IYSRKLETAATFASRYQNIQLFDQLEVFFKS-SFDLVYIASPNSLHFAQAKAALSAGKHVILEKPAVSQPQEWFDLIQTAEKNNCFIFEAARNYHEKAFTTIKNFLAD---KQVLGADFNYAKYSSKMPDLLAGQTPNVFSDRFAGGALMDLGIYPLYAAVRLFGKANDATYHAQQL------------DNSIDLNGDGILFYPD-YQVHIKAGKNIT----SNLPCEIYTTDGTLTLNTIEHIRSA------IFTDHQG--------NQVQLP-IQQAPHTMTEEVAAFAHMIQQPDLNLYQTWLYDAGSVHELLYTMRQTAGIRFEAEK 3OQB Chain:D ((3-378)) ---------------------------TTQRLGLIMNGVTGRMGLNQHLIRSIVAIRDQGGVRLKNGDRIMPDPILVGRSAEKVEALAKRFNIARWTTDLDAALADKNDTMFFDAATTQARPGLLTQAINAGKHVYCEKPIATNFEEALEVVKLANSKGVKHGTVQDKLFLPGLKKIAFLRDSGFFGRILSVRGEFGYWVFEGGWQEAQRPSWNYRDEDGGGIILD-VCHWRYVLDNLFGNVQSVVCIGNTDIPERFDEQGKKYKATADDSAYATFQLEGGVIAHIN-SWVTRVYRDDLVTFQVDGTHGSAVAGLSDC-IQARQATPRPVWNP--KRLHDFYGDWQKLPDNVSYDNGFKEQWE-FIRHVYEDA--PYKFTLLEGAKGVQLAECALKSWKERRWID-

General information: TITO was launched using: RESULT: Template: 3OQB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1 -347 -347.00 -1.09 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : -347.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.182

(partial model without unconserved sides chains): PDB file : Tito_3OQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQB-query.scw PDB file : Tito_Scwrl_3OQB.pdb: