Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIV-FPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGN-DNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR 4YDU Chain:B ((1-316)) ------MRVLGIETSCDETGIAIYDDEKGLLANQLYSQVKLHADYGGVVPELASRDHVRKTVPLIQAALKESGLTAKDIDAVAYTAGPGLVGALLVGATVGRSLAFAWDVPAIPVHHMEGHLLAPMLEDNPPEFPFVALLVSGGHTQLISVTGIGQYELLGESIDDAAGEAFDKTAKLLGLDYPGGPLLSKMAAQGTAGRFVFPRPMTDRPGLDFSFSGLKTFAANTIRDNGTDDQTRA--DIARAFEDAVVDTLMIKCKRALDQTGFKRLVMAGGVSANRTLRAKLAEMMKKRRGEVFYARP-EFCTDNGAMIAYAGMVRFKAG-----------------------

General information: TITO was launched using: RESULT: Template: 4YDU.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 : 1886 -213988 -113.46 -681.49 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -113.46 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4YDU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YDU-query.scw PDB file : Tito_Scwrl_4YDU.pdb: